4-(2,5-dimethylphenoxy)benzoic acid

C15H14O3 — CID 22684928

IUPAC4-(2,5-dimethylphenoxy)benzoic acid
SMILESCc1ccc(C)c(Oc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H14O3/c1-10-3-4-11(2)14(9-10)18-13-7-5-12(6-8-13)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyHGHPBPQZCYPVLS-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.79
Rot. Bonds3

About 4-(2,5-dimethylphenoxy)benzoic acid

4-(2,5-dimethylphenoxy)benzoic acid (PubChem CID 22684928) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-(2,5-dimethylphenoxy)benzoic acid.

Molecular Properties

Compound Name4-(2,5-dimethylphenoxy)benzoic acid
PubChem CID22684928
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name4-(2,5-dimethylphenoxy)benzoic acid
SMILESCc1ccc(C)c(Oc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H14O3/c1-10-3-4-11(2)14(9-10)18-13-7-5-12(6-8-13)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyHGHPBPQZCYPVLS-UHFFFAOYSA-N
XLogP3.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,5-dimethylphenoxy)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

4-[2-(2,5-dimethylphenoxy)ethoxy]benzoic acid
CID 22681502
4-[(2,5-dimethylphenoxy)methyl]benzoic acid
CID 7015959
6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80632032
4-(4-iodo-2-methylphenoxy)benzoic acid
CID 165024392
4-(2,3-dimethylphenoxy)benzoic acid
CID 20987074
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
indigane;4-methylbenzoic acid
CID 173230327
5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 28605623
1,4-dimethyl-2-(4-nitrophenoxy)benzene
CID 22164458
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene
CID 160687040
cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene
CID 158793119

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenoxy)benzoic acid?
The IUPAC name of 4-(2,5-dimethylphenoxy)benzoic acid (CID 22684928) is 4-(2,5-dimethylphenoxy)benzoic acid.
What is the SMILES notation for 4-(2,5-dimethylphenoxy)benzoic acid?
The canonical SMILES for 4-(2,5-dimethylphenoxy)benzoic acid is Cc1ccc(C)c(Oc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-(2,5-dimethylphenoxy)benzoic acid?
The InChIKey is HGHPBPQZCYPVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10-3-4-11(2)14(9-10)18-13-7-5-12(6-8-13)15(16)17/h3-9H,1-2H3,(H,16,17).
What are the key properties of 4-(2,5-dimethylphenoxy)benzoic acid?
4-(2,5-dimethylphenoxy)benzoic acid has a molecular weight of 242.27 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenoxy)benzoic acid is sourced from PubChem (CID 22684928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).