4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid

C17H18O3 — CID 114485685

IUPAC4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid
SMILESCCc1ccc(OCc2ccc(C(=O)O)cc2C)cc1
InChIInChI=1S/C17H18O3/c1-3-13-4-8-16(9-5-13)20-11-15-7-6-14(17(18)19)10-12(15)2/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyZDMBTXZJRQNKEJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.83
Rot. Bonds5

About 4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid

4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid (PubChem CID 114485685) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid
PubChem CID114485685
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid
SMILESCCc1ccc(OCc2ccc(C(=O)O)cc2C)cc1
InChIInChI=1S/C17H18O3/c1-3-13-4-8-16(9-5-13)20-11-15-7-6-14(17(18)19)10-12(15)2/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyZDMBTXZJRQNKEJ-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-ethylphenoxy)methyl]-3-methylbenzoic 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

4-[(2,4-dimethylphenyl)methoxy]benzoic acid
CID 131881242
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483245
4-[[3-(hydroxymethyl)phenoxy]methyl]-3-methylbenzoic acid
CID 114485771
3-[(4-ethylphenoxy)methyl]benzoic acid
CID 891200
ethane;4-ethyl-3-methylbenzoic acid
CID 144686494
2-[(4-ethylphenoxy)methyl]-4-fluorobenzoic acid
CID 107908458
3-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 117219656
3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid
CID 63073092
3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
CID 102670675
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid
CID 63530139

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid?
The IUPAC name of 4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid (CID 114485685) is 4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid?
The canonical SMILES for 4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid is CCc1ccc(OCc2ccc(C(=O)O)cc2C)cc1.
What is the InChIKey of 4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid?
The InChIKey is ZDMBTXZJRQNKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-13-4-8-16(9-5-13)20-11-15-7-6-14(17(18)19)10-12(15)2/h4-10H,3,11H2,1-2H3,(H,18,19).
What are the key properties of 4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid?
4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.83, 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]-3-methylbenzoic acid is sourced from PubChem (CID 114485685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).