4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid

C21H24O4 — CID 22682606

IUPAC4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24O4/c22-21(23)18-8-12-20(13-9-18)25-15-14-24-19-10-6-17(7-11-19)16-4-2-1-3-5-16/h6-13,16H,1-5,14-15H2,(H,22,23)
InChIKeyNFWQDVDBMGQRME-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.89
Rot. Bonds7

About 4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid

4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid (PubChem CID 22682606) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid
PubChem CID22682606
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24O4/c22-21(23)18-8-12-20(13-9-18)25-15-14-24-19-10-6-17(7-11-19)16-4-2-1-3-5-16/h6-13,16H,1-5,14-15H2,(H,22,23)
InChIKeyNFWQDVDBMGQRME-UHFFFAOYSA-N
XLogP4.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239
4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857059
2-(4-cyclopentylphenoxy)acetic acid
CID 23274257
2-(4-cyclohexylphenoxy)ethanamine
CID 542015
2-(4-cyclohexylphenoxy)ethylazanium
CID 7273660
(4-cyclohexylphenyl) 4-decoxybenzoate
CID 70557879
4-(4-cyclobutylphenyl)benzoic acid
CID 116506494
4-[3-[cyclohexyl(methyl)amino]propoxy]benzoic acid
CID 22681784
4-[(4-cyclohexylphenyl)-sulfanylmethyl]benzoic acid
CID 22216670
4-(3-cyclopentylsulfanylpropoxy)benzoic acid
CID 63115753
3-(4-cyclohexylphenoxy)benzoic acid
CID 15225599

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid?
The IUPAC name of 4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid (CID 22682606) is 4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid?
The canonical SMILES for 4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid is O=C(O)c1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of 4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid?
The InChIKey is NFWQDVDBMGQRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c22-21(23)18-8-12-20(13-9-18)25-15-14-24-19-10-6-17(7-11-19)16-4-2-1-3-5-16/h6-13,16H,1-5,14-15H2,(H,22,23).
What are the key properties of 4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid?
4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid has a molecular weight of 340.42 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid is sourced from PubChem (CID 22682606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).