2-[2-(cyclohexylmethoxy)phenyl]acetic acid

C15H20O3 — CID 11974933

IUPAC2-[2-(cyclohexylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCC1CCCCC1
InChIInChI=1S/C15H20O3/c16-15(17)10-13-8-4-5-9-14(13)18-11-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,16,17)
InChIKeyXZNHRQXWLBFNPY-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.27
Rot. Bonds5

About 2-[2-(cyclohexylmethoxy)phenyl]acetic acid

2-[2-(cyclohexylmethoxy)phenyl]acetic acid (PubChem CID 11974933) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(cyclohexylmethoxy)phenyl]acetic acid
PubChem CID11974933
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-[2-(cyclohexylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCC1CCCCC1
InChIInChI=1S/C15H20O3/c16-15(17)10-13-8-4-5-9-14(13)18-11-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,16,17)
InChIKeyXZNHRQXWLBFNPY-UHFFFAOYSA-N
XLogP3.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(cyclohexylmethoxy)phenyl]acetic 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

[2-(cyclobutylmethoxy)phenyl]methanol
CID 58083532
1-(bromomethyl)-2-(cyclopentylmethoxy)benzene
CID 61343019
2-[2-bromo-3-(cyclopropylmethoxy)phenyl]acetic acid
CID 117458882
[2-(cyclohexylmethoxy)phenyl]methyl-triphenylphosphanium chloride
CID 22678452
1-(bromomethyl)-2-(cyclobutylmethoxy)benzene
CID 58083522
2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid
CID 172567319
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
cyclohexylmethoxybenzene
CID 14399287
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene
CID 160519985
1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine
CID 146001154
2-amino-N-[[2-(cyclopropylmethoxy)phenyl]methyl]acetamide
CID 119325506

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylmethoxy)phenyl]acetic acid?
The IUPAC name of 2-[2-(cyclohexylmethoxy)phenyl]acetic acid (CID 11974933) is 2-[2-(cyclohexylmethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(cyclohexylmethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[2-(cyclohexylmethoxy)phenyl]acetic acid is O=C(O)Cc1ccccc1OCC1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylmethoxy)phenyl]acetic acid?
The InChIKey is XZNHRQXWLBFNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-15(17)10-13-8-4-5-9-14(13)18-11-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,16,17).
What are the key properties of 2-[2-(cyclohexylmethoxy)phenyl]acetic acid?
2-[2-(cyclohexylmethoxy)phenyl]acetic acid has a molecular weight of 248.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylmethoxy)phenyl]acetic acid is sourced from PubChem (CID 11974933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).