methyl 4-methoxy-3-phenylbenzoate

C15H14O3 — CID 11010121

IUPACmethyl 4-methoxy-3-phenylbenzoate
SMILESCOC(=O)c1ccc(OC)c(-c2ccccc2)c1
InChIInChI=1S/C15H14O3/c1-17-14-9-8-12(15(16)18-2)10-13(14)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyDWTWOQDUQXDGIM-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.15
Rot. Bonds3

About methyl 4-methoxy-3-phenylbenzoate

methyl 4-methoxy-3-phenylbenzoate (PubChem CID 11010121) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl 4-methoxy-3-phenylbenzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-phenylbenzoate
PubChem CID11010121
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Namemethyl 4-methoxy-3-phenylbenzoate
SMILESCOC(=O)c1ccc(OC)c(-c2ccccc2)c1
InChIInChI=1S/C15H14O3/c1-17-14-9-8-12(15(16)18-2)10-13(14)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyDWTWOQDUQXDGIM-UHFFFAOYSA-N
XLogP3.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-methoxy-3-phenylbenzoate 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

methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate
CID 110424178
methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451
methyl 4-hydroxy-3-phenylbenzoate
CID 15066016
4-methoxy-N,N-dimethyl-3-phenylbenzamide
CID 49375903
4-(4-methoxy-3-phenylphenyl)-2-methylidene-4-oxobutanoic acid
CID 70638858
methyl 3-phenyl-4-(trifluoromethyl)benzoate
CID 11044155
methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507
methyl 3-methoxy-4-(2-phenylphenyl)sulfonyloxybenzoate
CID 39977799
4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide
CID 49326379
methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
(4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate
CID 19830306
methyl (9E)-9-(2-methoxycarbonylfluoren-9-ylidene)fluorene-2-carboxylate
CID 14593436

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-phenylbenzoate?
The IUPAC name of methyl 4-methoxy-3-phenylbenzoate (CID 11010121) is methyl 4-methoxy-3-phenylbenzoate.
What is the SMILES notation for methyl 4-methoxy-3-phenylbenzoate?
The canonical SMILES for methyl 4-methoxy-3-phenylbenzoate is COC(=O)c1ccc(OC)c(-c2ccccc2)c1.
What is the InChIKey of methyl 4-methoxy-3-phenylbenzoate?
The InChIKey is DWTWOQDUQXDGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-17-14-9-8-12(15(16)18-2)10-13(14)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of methyl 4-methoxy-3-phenylbenzoate?
methyl 4-methoxy-3-phenylbenzoate has a molecular weight of 242.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-phenylbenzoate is sourced from PubChem (CID 11010121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).