4-(4-cyclohexyloxyphenyl)benzoic acid

C19H20O3 — CID 23005106

IUPAC4-(4-cyclohexyloxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(OC3CCCCC3)cc2)cc1
InChIInChI=1S/C19H20O3/c20-19(21)16-8-6-14(7-9-16)15-10-12-18(13-11-15)22-17-4-2-1-3-5-17/h6-13,17H,1-5H2,(H,20,21)
InChIKeyHMDPTKJHGOQFQU-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.76
Rot. Bonds4

About 4-(4-cyclohexyloxyphenyl)benzoic acid

4-(4-cyclohexyloxyphenyl)benzoic acid (PubChem CID 23005106) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(4-cyclohexyloxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-cyclohexyloxyphenyl)benzoic acid
PubChem CID23005106
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name4-(4-cyclohexyloxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(OC3CCCCC3)cc2)cc1
InChIInChI=1S/C19H20O3/c20-19(21)16-8-6-14(7-9-16)15-10-12-18(13-11-15)22-17-4-2-1-3-5-17/h6-13,17H,1-5H2,(H,20,21)
InChIKeyHMDPTKJHGOQFQU-UHFFFAOYSA-N
XLogP4.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]benzoic acid
CID 90177022
4-cycloheptyloxybenzamide
CID 141109251
4-(4-cyclopentyloxyphenyl)-3-(methoxymethyl)benzoic acid
CID 57134892
cyclobutane;3-(cyclohexylmethoxy)benzoic acid;bis(4-cyclopentyloxybenzoic acid)
CID 174840295
4-(3-methylcyclobutyl)oxybenzoic acid
CID 156751955
4-(oxan-2-yloxy)benzoic acid
CID 11183645
bromo 4-cyclobutyloxybenzoate
CID 70345059
4-cycloheptyloxyphenol
CID 67178425
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
4-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64746307
1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid
CID 119354149
4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 166323103

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyloxyphenyl)benzoic acid?
The IUPAC name of 4-(4-cyclohexyloxyphenyl)benzoic acid (CID 23005106) is 4-(4-cyclohexyloxyphenyl)benzoic acid.
What is the SMILES notation for 4-(4-cyclohexyloxyphenyl)benzoic acid?
The canonical SMILES for 4-(4-cyclohexyloxyphenyl)benzoic acid is O=C(O)c1ccc(-c2ccc(OC3CCCCC3)cc2)cc1.
What is the InChIKey of 4-(4-cyclohexyloxyphenyl)benzoic acid?
The InChIKey is HMDPTKJHGOQFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c20-19(21)16-8-6-14(7-9-16)15-10-12-18(13-11-15)22-17-4-2-1-3-5-17/h6-13,17H,1-5H2,(H,20,21).
What are the key properties of 4-(4-cyclohexyloxyphenyl)benzoic acid?
4-(4-cyclohexyloxyphenyl)benzoic acid has a molecular weight of 296.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyloxyphenyl)benzoic acid is sourced from PubChem (CID 23005106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).