3-phenyl-2-(4-propylphenyl)benzoic acid

C22H20O2 — CID 175832931

IUPAC3-phenyl-2-(4-propylphenyl)benzoic acid
SMILESCCCc1ccc(-c2c(C(=O)O)cccc2-c2ccccc2)cc1
InChIInChI=1S/C22H20O2/c1-2-7-16-12-14-18(15-13-16)21-19(17-8-4-3-5-9-17)10-6-11-20(21)22(23)24/h3-6,8-15H,2,7H2,1H3,(H,23,24)
InChIKeyRCPBZJMZIQGNEL-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.67
Rot. Bonds5

About 3-phenyl-2-(4-propylphenyl)benzoic acid

3-phenyl-2-(4-propylphenyl)benzoic acid (PubChem CID 175832931) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-phenyl-2-(4-propylphenyl)benzoic acid.

Molecular Properties

Compound Name3-phenyl-2-(4-propylphenyl)benzoic acid
PubChem CID175832931
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name3-phenyl-2-(4-propylphenyl)benzoic acid
SMILESCCCc1ccc(-c2c(C(=O)O)cccc2-c2ccccc2)cc1
InChIInChI=1S/C22H20O2/c1-2-7-16-12-14-18(15-13-16)21-19(17-8-4-3-5-9-17)10-6-11-20(21)22(23)24/h3-6,8-15H,2,7H2,1H3,(H,23,24)
InChIKeyRCPBZJMZIQGNEL-UHFFFAOYSA-N
XLogP5.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-4-propylbenzene;2-(4-propylphenyl)benzoate
CID 23324392
2-(4-octylphenyl)benzoic acid
CID 23035037
2-(4-pentylcyclohexyl)-3-(4-propylphenyl)benzoic acid
CID 67854018
2-[4-(2-methoxyethyl)phenyl]benzoic acid
CID 61025269
pentan-3-one;1,2,3-triphenylbenzene
CID 174581900
CID 175306290
CID 175306290
magnesium;1-phenyl-4-propylbenzene;bromide
CID 172966719
2-bromo-6-(4-propylphenyl)phenol
CID 162716525
4-[2-(4-pentylphenyl)phenyl]benzoic acid
CID 139608159
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
1,2-diphenyl-3-prop-1-en-2-ylbenzene
CID 142394581
2-phenyl-3-tridecoxybenzoic acid
CID 70434237

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(4-propylphenyl)benzoic acid?
The IUPAC name of 3-phenyl-2-(4-propylphenyl)benzoic acid (CID 175832931) is 3-phenyl-2-(4-propylphenyl)benzoic acid.
What is the SMILES notation for 3-phenyl-2-(4-propylphenyl)benzoic acid?
The canonical SMILES for 3-phenyl-2-(4-propylphenyl)benzoic acid is CCCc1ccc(-c2c(C(=O)O)cccc2-c2ccccc2)cc1.
What is the InChIKey of 3-phenyl-2-(4-propylphenyl)benzoic acid?
The InChIKey is RCPBZJMZIQGNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-2-7-16-12-14-18(15-13-16)21-19(17-8-4-3-5-9-17)10-6-11-20(21)22(23)24/h3-6,8-15H,2,7H2,1H3,(H,23,24).
What are the key properties of 3-phenyl-2-(4-propylphenyl)benzoic acid?
3-phenyl-2-(4-propylphenyl)benzoic acid has a molecular weight of 316.40 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(4-propylphenyl)benzoic acid is sourced from PubChem (CID 175832931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).