2-phenyl-4-(4-propylcyclohexyl)benzoic acid

C22H26O2 — CID 154428118

IUPAC2-phenyl-4-(4-propylcyclohexyl)benzoic acid
SMILESCCCC1CCC(c2ccc(C(=O)O)c(-c3ccccc3)c2)CC1
InChIInChI=1S/C22H26O2/c1-2-6-16-9-11-17(12-10-16)19-13-14-20(22(23)24)21(15-19)18-7-4-3-5-8-18/h3-5,7-8,13-17H,2,6,9-12H2,1H3,(H,23,24)
InChIKeyXZVYZIYFXIWHAR-UHFFFAOYSA-N
MW322.45 g/mol
LogP6.13
Rot. Bonds5

About 2-phenyl-4-(4-propylcyclohexyl)benzoic acid

2-phenyl-4-(4-propylcyclohexyl)benzoic acid (PubChem CID 154428118) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-phenyl-4-(4-propylcyclohexyl)benzoic acid.

Molecular Properties

Compound Name2-phenyl-4-(4-propylcyclohexyl)benzoic acid
PubChem CID154428118
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name2-phenyl-4-(4-propylcyclohexyl)benzoic acid
SMILESCCCC1CCC(c2ccc(C(=O)O)c(-c3ccccc3)c2)CC1
InChIInChI=1S/C22H26O2/c1-2-6-16-9-11-17(12-10-16)19-13-14-20(22(23)24)21(15-19)18-7-4-3-5-8-18/h3-5,7-8,13-17H,2,6,9-12H2,1H3,(H,23,24)
InChIKeyXZVYZIYFXIWHAR-UHFFFAOYSA-N
XLogP6.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid
CID 67406965
4-(4-pentylcyclohexyl)-2-(3,4,5-trifluorophenyl)benzoic acid
CID 70257779
4-(4-methylcyclohexyl)-2-(4-pent-1-enylphenyl)benzoic acid
CID 54471234
(4-propylcyclohexyl)benzene
CID 155887669
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
ethane;phenyl 2-fluoro-4-(4-propylcyclohexyl)benzoate
CID 91162362
4-decoxy-2-[4-[3-(4-propylcyclohexyl)propoxy]phenyl]benzoic acid
CID 172861784
2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one
CID 56988629
1-(3-fluorophenyl)-4-(4-pentylcyclohexyl)-2-phenylbenzene
CID 18647585
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene
CID 70401958
3-(4-cyanophenyl)-2-(4-propylcyclohexyl)benzoic acid
CID 21058882

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-propylcyclohexyl)benzoic acid?
The IUPAC name of 2-phenyl-4-(4-propylcyclohexyl)benzoic acid (CID 154428118) is 2-phenyl-4-(4-propylcyclohexyl)benzoic acid.
What is the SMILES notation for 2-phenyl-4-(4-propylcyclohexyl)benzoic acid?
The canonical SMILES for 2-phenyl-4-(4-propylcyclohexyl)benzoic acid is CCCC1CCC(c2ccc(C(=O)O)c(-c3ccccc3)c2)CC1.
What is the InChIKey of 2-phenyl-4-(4-propylcyclohexyl)benzoic acid?
The InChIKey is XZVYZIYFXIWHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-2-6-16-9-11-17(12-10-16)19-13-14-20(22(23)24)21(15-19)18-7-4-3-5-8-18/h3-5,7-8,13-17H,2,6,9-12H2,1H3,(H,23,24).
What are the key properties of 2-phenyl-4-(4-propylcyclohexyl)benzoic acid?
2-phenyl-4-(4-propylcyclohexyl)benzoic acid has a molecular weight of 322.45 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-propylcyclohexyl)benzoic acid is sourced from PubChem (CID 154428118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).