CAS 167145-13-3 | Drug Information, Uses, Side Effects, Pharma intermediate Chemistry | PharmaCompass.com

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2D Structure

Also known as: 167145-13-3, 2-(3-methoxyphenethyl)phenol, Phenol, 2-[2-(3-methoxyphenyl)ethyl]-, C15h16o2, 2-(2-(3-methoxyphenyl)ethyl)phenol, 2-[2-(3-methoxy-phenyl)-ethyl]-phenol

Molecular Formula

C₁₅H₁₆O₂

Molecular Weight

228.29 g/mol

InChI Key

HGQQRAXOBYWKDV-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[2-(3-methoxyphenyl)ethyl]phenol

2.1.2 InChI

InChI=1S/C15H16O2/c1-17-14-7-4-5-12(11-14)9-10-13-6-2-3-8-15(13)16/h2-8,11,16H,9-10H2,1H3

2.1.3 InChI Key

HGQQRAXOBYWKDV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=CC(=C1)CCC2=CC=CC=C2O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 167145-13-3

2. 2-(3-methoxyphenethyl)phenol

3. Phenol, 2-[2-(3-methoxyphenyl)ethyl]-

4. C15h16o2

5. 2-(2-(3-methoxyphenyl)ethyl)phenol

6. 2-[2-(3-methoxy-phenyl)-ethyl]-phenol

7. Schembl4189173

8. Amy3315

9. Dtxsid10442119

10. 2-2-(3-methoxyphenyl)ethyl Phenol

11. Mfcd09800498

12. 2-[2-(3-methoxyphenyl) Ethyl]phenol

13. Akos015889595

14. Ac-24244

15. As-11480

16. Da-18048

17. Cs-0150330

18. M2472

19. A810824

20. J-507633

21. 2-[2-(3-methoxy-phenyl)-ethyl]-phenol, Aldrichcpr

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₆O₂
Molecular Weight	228.29 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	29.5
Heavy Atom Count	17
Formal Charge	0
Complexity	217
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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