CAS 54757-47-0 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 54757-47-0, 62924-31-6, 4-(4-methoxy-2,3,6-trimethylphenyl)-but-3-en-2-one, (e)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one, (e)-(4-methoxy-2,3,6-trimethylphenyl)-3-buten-2-one, 4-(4-methoxy-2,3,6-trimethyl-phenyl)-but-3-en-2-one
Molecular Formula
C14H18O2
Molecular Weight
218.29  g/mol
InChI Key
NMRRLIHKRCVLLQ-VOTSOKGWSA-N

CAS 54757-47-0
1 2D Structure

CAS 54757-47-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(E)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one
2.1.2 InChI
InChI=1S/C14H18O2/c1-9-8-14(16-5)12(4)11(3)13(9)7-6-10(2)15/h6-8H,1-5H3/b7-6+
2.1.3 InChI Key
NMRRLIHKRCVLLQ-VOTSOKGWSA-N
2.1.4 Canonical SMILES
CC1=CC(=C(C(=C1C=CC(=O)C)C)C)OC
2.1.5 Isomeric SMILES
CC1=CC(=C(C(=C1/C=C/C(=O)C)C)C)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 54757-47-0

2. 62924-31-6

3. 4-(4-methoxy-2,3,6-trimethylphenyl)-but-3-en-2-one

4. (e)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one

5. (e)-(4-methoxy-2,3,6-trimethylphenyl)-3-buten-2-one

6. 4-(4-methoxy-2,3,6-trimethyl-phenyl)-but-3-en-2-one

7. Einecs 263-760-4

8. 4-(4-methoxy-2,3,6-trimethylphenyl)-3-buten-2-one

9. Schembl10753117

10. (e)-4-(4-methoxy-2,3,6-trimethylphenyl)-3-buten-2-one

11. (3e)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one

12. Dtxsid701197726

13. Zinc235432

14. Mfcd00449197

15. Stl372779

16. Akos000560110

17. Ac-8395

18. As-10567

19. Cs-0160979

20. C75570

21. Ab00076006-01

22. A918191

23. (3e)-4-(4-methoxy-2,3,6-trimethylphenyl)-3-buten-2-one

24. (e)-4-(4-methoxy-2,3,6-trimethyl-phenyl)-but-3-en-2-one

25. 3-buten-2-one, 4-(4-methoxy-2,3,6-trimethylphenyl)-, (e)-

2.3 Create Date
2005-07-08
3 Chemical and Physical Properties
Molecular Weight 218.29 g/mol
Molecular Formula C14H18O2
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass218.130679813 g/mol
Monoisotopic Mass218.130679813 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity270
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty