3-(4-cyclohexylphenoxy)benzoic acid

C19H20O3 — CID 15225599

IUPAC3-(4-cyclohexylphenoxy)benzoic acid
SMILESO=C(O)c1cccc(Oc2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C19H20O3/c20-19(21)16-7-4-8-18(13-16)22-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h4,7-14H,1-3,5-6H2,(H,20,21)
InChIKeyWYPJFFMOIBTSCX-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.22
Rot. Bonds4

About 3-(4-cyclohexylphenoxy)benzoic acid

3-(4-cyclohexylphenoxy)benzoic acid (PubChem CID 15225599) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(4-cyclohexylphenoxy)benzoic acid.

Molecular Properties

Compound Name3-(4-cyclohexylphenoxy)benzoic acid
PubChem CID15225599
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name3-(4-cyclohexylphenoxy)benzoic acid
SMILESO=C(O)c1cccc(Oc2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C19H20O3/c20-19(21)16-7-4-8-18(13-16)22-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h4,7-14H,1-3,5-6H2,(H,20,21)
InChIKeyWYPJFFMOIBTSCX-UHFFFAOYSA-N
XLogP5.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclohexylphenyl) 3-methoxybenzoate
CID 6943728
6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid
CID 135313098
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid
CID 22682606
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one
CID 159588283
3-naphthalen-2-yloxybenzoic acid
CID 10587676
1-[4-[1-[3-(4-methylphenoxy)benzoyl]piperidin-4-yl]phenyl]ethanone
CID 71211978
phenyl 3-cyclohexylbenzoate
CID 67161898
1-[4-(4-cyclopentylphenoxy)phenyl]propan-1-one
CID 157293916
4-(4-cyclopentylphenoxy)-N,N-dimethylbenzamide
CID 142415037
3-[[4-(4-cyclohexylanilino)benzoyl]amino]benzoic acid
CID 155133623

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylphenoxy)benzoic acid?
The IUPAC name of 3-(4-cyclohexylphenoxy)benzoic acid (CID 15225599) is 3-(4-cyclohexylphenoxy)benzoic acid.
What is the SMILES notation for 3-(4-cyclohexylphenoxy)benzoic acid?
The canonical SMILES for 3-(4-cyclohexylphenoxy)benzoic acid is O=C(O)c1cccc(Oc2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of 3-(4-cyclohexylphenoxy)benzoic acid?
The InChIKey is WYPJFFMOIBTSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c20-19(21)16-7-4-8-18(13-16)22-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h4,7-14H,1-3,5-6H2,(H,20,21).
What are the key properties of 3-(4-cyclohexylphenoxy)benzoic acid?
3-(4-cyclohexylphenoxy)benzoic acid has a molecular weight of 296.37 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylphenoxy)benzoic acid is sourced from PubChem (CID 15225599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).