4-[(4-ethylphenoxy)methyl]benzoic acid

C16H16O3 — CID 585022

IUPAC4-[(4-ethylphenoxy)methyl]benzoic acid
SMILESCCc1ccc(OCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H16O3/c1-2-12-5-9-15(10-6-12)19-11-13-3-7-14(8-4-13)16(17)18/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyIMLWGYVDZQECIP-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.53
Rot. Bonds5

About 4-[(4-ethylphenoxy)methyl]benzoic acid

4-[(4-ethylphenoxy)methyl]benzoic acid (PubChem CID 585022) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[(4-ethylphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-ethylphenoxy)methyl]benzoic acid
PubChem CID585022
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name4-[(4-ethylphenoxy)methyl]benzoic acid
SMILESCCc1ccc(OCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H16O3/c1-2-12-5-9-15(10-6-12)19-11-13-3-7-14(8-4-13)16(17)18/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyIMLWGYVDZQECIP-UHFFFAOYSA-N
XLogP3.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-ethylphenoxy)methyl]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

ethane;4-(phenoxymethyl)benzoic acid;propane
CID 144638943
4-phenylmethoxybenzoic acid
CID 68896574
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805
4-[(4-octoxyphenyl)methoxy]benzoic acid
CID 57070929
3-[(4-ethylphenoxy)methyl]benzoic acid
CID 891200
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939
4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid
CID 114485685
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
4-ethylphenol;4-hydroxybenzoic acid
CID 158740772
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
4-ethylbenzoic acid;formaldehyde
CID 155718391
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenoxy)methyl]benzoic acid?
The IUPAC name of 4-[(4-ethylphenoxy)methyl]benzoic acid (CID 585022) is 4-[(4-ethylphenoxy)methyl]benzoic acid.
What is the SMILES notation for 4-[(4-ethylphenoxy)methyl]benzoic acid?
The canonical SMILES for 4-[(4-ethylphenoxy)methyl]benzoic acid is CCc1ccc(OCc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(4-ethylphenoxy)methyl]benzoic acid?
The InChIKey is IMLWGYVDZQECIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-12-5-9-15(10-6-12)19-11-13-3-7-14(8-4-13)16(17)18/h3-10H,2,11H2,1H3,(H,17,18).
What are the key properties of 4-[(4-ethylphenoxy)methyl]benzoic acid?
4-[(4-ethylphenoxy)methyl]benzoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenoxy)methyl]benzoic acid is sourced from PubChem (CID 585022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).