4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid

C22H26O3 — CID 67406965

IUPAC4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid
SMILESCCCC1CCC(c2ccc(-c3cc(O)ccc3C(=O)O)cc2)CC1
InChIInChI=1S/C22H26O3/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)21-14-19(23)12-13-20(21)22(24)25/h8-16,23H,2-7H2,1H3,(H,24,25)
InChIKeyNLFLCXCEGWJBCZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.83
Rot. Bonds5

About 4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid

4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid (PubChem CID 67406965) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid
PubChem CID67406965
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid
SMILESCCCC1CCC(c2ccc(-c3cc(O)ccc3C(=O)O)cc2)CC1
InChIInChI=1S/C22H26O3/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)21-14-19(23)12-13-20(21)22(24)25/h8-16,23H,2-7H2,1H3,(H,24,25)
InChIKeyNLFLCXCEGWJBCZ-UHFFFAOYSA-N
XLogP5.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4-(4-propylcyclohexyl)benzoic acid
CID 154428118
4-(4-pentylcyclohexyl)-2-(3,4,5-trifluorophenyl)benzoic acid
CID 70257779
1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol
CID 160756551
4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol
CID 139457537
4-(4-methylcyclohexyl)-2-(4-pent-1-enylphenyl)benzoic acid
CID 54471234
4-decoxy-2-[4-[3-(4-propylcyclohexyl)propoxy]phenyl]benzoic acid
CID 172861784
carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene
CID 70401958
2-bromo-2-methyl-1-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]propan-1-one
CID 22929005
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
(4-propylcyclohexyl)benzene
CID 155887669
4-chloro-2-(4-cyclobutylphenyl)benzoic acid
CID 107989871

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid?
The IUPAC name of 4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid (CID 67406965) is 4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid.
What is the SMILES notation for 4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid?
The canonical SMILES for 4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid is CCCC1CCC(c2ccc(-c3cc(O)ccc3C(=O)O)cc2)CC1.
What is the InChIKey of 4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid?
The InChIKey is NLFLCXCEGWJBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O3/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)21-14-19(23)12-13-20(21)22(24)25/h8-16,23H,2-7H2,1H3,(H,24,25).
What are the key properties of 4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid?
4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid has a molecular weight of 338.45 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid is sourced from PubChem (CID 67406965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).