4-(3,5-dimethylphenyl)-3-methylbenzoate

C16H15O2- — CID 86307245

IUPAC4-(3,5-dimethylphenyl)-3-methylbenzoate
SMILESCc1cc(C)cc(-c2ccc(C(=O)[O-])cc2C)c1
InChIInChI=1S/C16H16O2/c1-10-6-11(2)8-14(7-10)15-5-4-13(16(17)18)9-12(15)3/h4-9H,1-3H3,(H,17,18)/p-1
InChIKeyVVOZWOSSANZQEE-UHFFFAOYSA-M
MW239.29 g/mol
LogP2.64
Rot. Bonds2

About 4-(3,5-dimethylphenyl)-3-methylbenzoate

4-(3,5-dimethylphenyl)-3-methylbenzoate (PubChem CID 86307245) has the molecular formula C16H15O2- and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-3-methylbenzoate.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-3-methylbenzoate
PubChem CID86307245
Molecular FormulaC16H15O2-
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC Name4-(3,5-dimethylphenyl)-3-methylbenzoate
SMILESCc1cc(C)cc(-c2ccc(C(=O)[O-])cc2C)c1
InChIInChI=1S/C16H16O2/c1-10-6-11(2)8-14(7-10)15-5-4-13(16(17)18)9-12(15)3/h4-9H,1-3H3,(H,17,18)/p-1
InChIKeyVVOZWOSSANZQEE-UHFFFAOYSA-M
XLogP2.64
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3,5-dimethylphenyl)-3-methylbenzoate 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-(4-carboxylato-2-methylphenyl)-3-methylbenzoate
CID 22358461
4-[5-(hydroxymethyl)furan-2-yl]-3-methylbenzoate
CID 6953179
gadolinium(3+);tris(4-methylbenzoate)
CID 159199337
mercury(2+);bis(4-methylbenzoate)
CID 22604467
azanium 4-methylbenzoate
CID 67114247
4-(4-acetylphenyl)-3-methylbenzoic acid
CID 53226031
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
mercury(2+);bis(6-methylnaphthalene-2-carboxylate)
CID 22604897
3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzoate
CID 6957575
tetrazinc;hexakis(4-methylbenzoate);oxygen(2-)
CID 139137478
1,3-dimethyl-5-(2-methylphenyl)benzene
CID 12639839
1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one
CID 141321542

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-3-methylbenzoate?
The IUPAC name of 4-(3,5-dimethylphenyl)-3-methylbenzoate (CID 86307245) is 4-(3,5-dimethylphenyl)-3-methylbenzoate.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-3-methylbenzoate?
The canonical SMILES for 4-(3,5-dimethylphenyl)-3-methylbenzoate is Cc1cc(C)cc(-c2ccc(C(=O)[O-])cc2C)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-3-methylbenzoate?
The InChIKey is VVOZWOSSANZQEE-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16O2/c1-10-6-11(2)8-14(7-10)15-5-4-13(16(17)18)9-12(15)3/h4-9H,1-3H3,(H,17,18)/p-1.
What are the key properties of 4-(3,5-dimethylphenyl)-3-methylbenzoate?
4-(3,5-dimethylphenyl)-3-methylbenzoate has a molecular weight of 239.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-3-methylbenzoate is sourced from PubChem (CID 86307245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).