methyl 4-methyl-3-phenoxybenzoate

C15H14O3 — CID 15210812

IUPACmethyl 4-methyl-3-phenoxybenzoate
SMILESCOC(=O)c1ccc(C)c(Oc2ccccc2)c1
InChIInChI=1S/C15H14O3/c1-11-8-9-12(15(16)17-2)10-14(11)18-13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyCJIXFVKHCMFJJW-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.57
Rot. Bonds3

About methyl 4-methyl-3-phenoxybenzoate

methyl 4-methyl-3-phenoxybenzoate (PubChem CID 15210812) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl 4-methyl-3-phenoxybenzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-phenoxybenzoate
PubChem CID15210812
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Namemethyl 4-methyl-3-phenoxybenzoate
SMILESCOC(=O)c1ccc(C)c(Oc2ccccc2)c1
InChIInChI=1S/C15H14O3/c1-11-8-9-12(15(16)17-2)10-14(11)18-13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyCJIXFVKHCMFJJW-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-methyl-3-phenoxybenzoate 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

dimethyl 2-phenoxybenzene-1,4-dicarboxylate
CID 23436153
4-(4-methyl-3-phenoxyphenyl)-2,4-dioxobutanoic acid
CID 22613191
methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate
CID 10760874
methyl 4-methyl-3-propan-2-yloxybenzoate
CID 23157412
methyl 4-[4-(4-methoxycarbonylphenoxy)-3-methylphenoxy]benzoate
CID 161428030
methyl 4-methyl-3-(trifluoromethylsulfonyloxy)benzoate
CID 19034158
methyl 4-amino-3-(4-methylphenoxy)benzoate
CID 79017162
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate
CID 102982938
4-(2,5-dimethylphenoxy)benzoic acid
CID 22684928
methyl 2-phenoxypyrimidine-5-carboxylate
CID 68554907
methyl 4-methyl-3-(4-phenoxybutanoylamino)benzoate
CID 2673216

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-phenoxybenzoate?
The IUPAC name of methyl 4-methyl-3-phenoxybenzoate (CID 15210812) is methyl 4-methyl-3-phenoxybenzoate.
What is the SMILES notation for methyl 4-methyl-3-phenoxybenzoate?
The canonical SMILES for methyl 4-methyl-3-phenoxybenzoate is COC(=O)c1ccc(C)c(Oc2ccccc2)c1.
What is the InChIKey of methyl 4-methyl-3-phenoxybenzoate?
The InChIKey is CJIXFVKHCMFJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-11-8-9-12(15(16)17-2)10-14(11)18-13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of methyl 4-methyl-3-phenoxybenzoate?
methyl 4-methyl-3-phenoxybenzoate has a molecular weight of 242.27 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-phenoxybenzoate is sourced from PubChem (CID 15210812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).