3-[(4-ethylphenyl)methoxymethyl]benzoic acid

C17H18O3 — CID 130382133

IUPAC3-[(4-ethylphenyl)methoxymethyl]benzoic acid
SMILESCCc1ccc(COCc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C17H18O3/c1-2-13-6-8-14(9-7-13)11-20-12-15-4-3-5-16(10-15)17(18)19/h3-10H,2,11-12H2,1H3,(H,18,19)
InChIKeyQLNCZIPNXZBBKE-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.66
Rot. Bonds6

About 3-[(4-ethylphenyl)methoxymethyl]benzoic acid

3-[(4-ethylphenyl)methoxymethyl]benzoic acid (PubChem CID 130382133) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)methoxymethyl]benzoic acid.

Molecular Properties

Compound Name3-[(4-ethylphenyl)methoxymethyl]benzoic acid
PubChem CID130382133
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3-[(4-ethylphenyl)methoxymethyl]benzoic acid
SMILESCCc1ccc(COCc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C17H18O3/c1-2-13-6-8-14(9-7-13)11-20-12-15-4-3-5-16(10-15)17(18)19/h3-10H,2,11-12H2,1H3,(H,18,19)
InChIKeyQLNCZIPNXZBBKE-UHFFFAOYSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(4-ethylphenyl)methoxymethyl]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

3-[(4-ethylphenoxy)methyl]benzoic acid
CID 891200
3-ethylbenzoic acid;propane
CID 177324794
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
3-[(2-amino-2-methylpropoxy)methyl]benzoic acid
CID 82353223
4-[[3-(hydroxymethyl)phenyl]methoxymethyl]benzoic acid
CID 146227717
4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 24689583
3-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987653
3-ethylbenzoic acid;isocyanic acid;hydrochloride
CID 173457186
3-(phosphonooxymethyl)benzoic acid
CID 67041186
3-[[3-(2-ethoxyethoxymethyl)anilino]methyl]benzoic acid
CID 122029521
3-[[(1R,6S)-6-methylcyclohex-3-en-1-yl]methoxymethyl]benzoic acid
CID 29005819
3-(ethylsulfonylmethyl)benzoic acid
CID 43386055

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)methoxymethyl]benzoic acid?
The IUPAC name of 3-[(4-ethylphenyl)methoxymethyl]benzoic acid (CID 130382133) is 3-[(4-ethylphenyl)methoxymethyl]benzoic acid.
What is the SMILES notation for 3-[(4-ethylphenyl)methoxymethyl]benzoic acid?
The canonical SMILES for 3-[(4-ethylphenyl)methoxymethyl]benzoic acid is CCc1ccc(COCc2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)methoxymethyl]benzoic acid?
The InChIKey is QLNCZIPNXZBBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-13-6-8-14(9-7-13)11-20-12-15-4-3-5-16(10-15)17(18)19/h3-10H,2,11-12H2,1H3,(H,18,19).
What are the key properties of 3-[(4-ethylphenyl)methoxymethyl]benzoic acid?
3-[(4-ethylphenyl)methoxymethyl]benzoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)methoxymethyl]benzoic acid is sourced from PubChem (CID 130382133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).