2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid

C17H18O3 — CID 60911444

IUPAC2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid
SMILESCc1cc(C)cc(COc2c(C)cccc2C(=O)O)c1
InChIInChI=1S/C17H18O3/c1-11-7-12(2)9-14(8-11)10-20-16-13(3)5-4-6-15(16)17(18)19/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyFKDDCWBLENSCAL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.89
Rot. Bonds4

About 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid

2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid (PubChem CID 60911444) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid
PubChem CID60911444
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid
SMILESCc1cc(C)cc(COc2c(C)cccc2C(=O)O)c1
InChIInChI=1S/C17H18O3/c1-11-7-12(2)9-14(8-11)10-20-16-13(3)5-4-6-15(16)17(18)19/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyFKDDCWBLENSCAL-UHFFFAOYSA-N
XLogP3.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3,5-dimethylphenyl)methoxy]-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

2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid
CID 63463861
3-methyl-2-[(4-methylsulfanylphenyl)methoxy]benzoic acid
CID 60911050
3-methyl-2-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 54929892
2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid
CID 105369808
2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde
CID 112610948
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid
CID 63463866
3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid
CID 112612027
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
CID 175079027
CID 175079027
2-heptoxy-3-methylbenzoic acid
CID 54560597
2-(2-carboxy-2-methylpropoxy)-3-methylbenzoic acid
CID 112611861
2-[(2-bromo-5-methoxyphenyl)methoxy]-3-methylbenzoic acid
CID 65322657

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid?
The IUPAC name of 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid (CID 60911444) is 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid is Cc1cc(C)cc(COc2c(C)cccc2C(=O)O)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid?
The InChIKey is FKDDCWBLENSCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11-7-12(2)9-14(8-11)10-20-16-13(3)5-4-6-15(16)17(18)19/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid?
2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid is sourced from PubChem (CID 60911444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).