158938-08-0

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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

CHEMISTRY

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BUILDING BLOCK

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1 End Use APIs
2 Related Intermediates

Chemistry

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Also known as: 158938-08-0, 4-[4-(4-pentoxyphenyl)phenyl]benzoic acid, [1,1':4',1''-terphenyl]-4-carboxylic acid, 4''-(pentyloxy)-, C24h24o3, Mfcd17019206, Schembl3074389

Molecular Formula

C₂₄H₂₄O₃

Molecular Weight

360.4 g/mol

InChI Key

APIUMVXKBCYBSC-UHFFFAOYSA-N

1 2D Structure

158938-08-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[4-(4-pentoxyphenyl)phenyl]benzoic acid

2.1.2 InChI

InChI=1S/C24H24O3/c1-2-3-4-17-27-23-15-13-21(14-16-23)19-7-5-18(6-8-19)20-9-11-22(12-10-20)24(25)26/h5-16H,2-4,17H2,1H3,(H,25,26)

2.1.3 InChI Key

APIUMVXKBCYBSC-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 158938-08-0

2. 4-[4-(4-pentoxyphenyl)phenyl]benzoic Acid

3. [1,1':4',1''-terphenyl]-4-carboxylic Acid, 4''-(pentyloxy)-

4. C24h24o3

5. Mfcd17019206

6. Schembl3074389

7. Apiumvxkbcybsc-uhfffaoysa-n

8. Bcp33293

9. Akos015917919

10. Ds-8022

11. Cs-0152124

12. C73005

13. [1,1:4,1-terphenyl]-4-carboxylic Acid,4-(pentyloxy)-

14. 4''-n-pentoxy[1,1':4',1'']-terphenyl-4-carboxylic Acid

15. 4"-(n-pentyloxy)-[1,1':4',1"-terphenyl]-4-carboxylic Acid

16. 4''-(pentyloxy)-[1,1':4',1''-terphenyl]-4-carboxylicacid

17. 4''-n-pentoxy-[1,1':4',1'']-terphenyl-4-carboxylic Acid

18. 4'-[4-(pentyloxy)phenyl]-[1,1'-biphenyl]-4-carboxylic Acid

19. [1,1':4',1''-terphenyl]-4-carboxylic Acid, 4''-(pentyloxy)-;4-(4''-pentyloxy-1,1':4',1''-terphenyl)-carboxylic Acid

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₄O₃
Molecular Weight	360.4 g/mol
XLogP3	7.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	46.5
Heavy Atom Count	27
Formal Charge	0
Complexity	425
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