(4-methoxycarbonylphenyl) 2-methylbenzoate

C16H14O4 — CID 576739

IUPAC(4-methoxycarbonylphenyl) 2-methylbenzoate
SMILESCOC(=O)c1ccc(OC(=O)c2ccccc2C)cc1
InChIInChI=1S/C16H14O4/c1-11-5-3-4-6-14(11)16(18)20-13-9-7-12(8-10-13)15(17)19-2/h3-10H,1-2H3
InChIKeyKXRCGJIKPOZBHT-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.00
Rot. Bonds3

About (4-methoxycarbonylphenyl) 2-methylbenzoate

(4-methoxycarbonylphenyl) 2-methylbenzoate (PubChem CID 576739) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl) 2-methylbenzoate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl) 2-methylbenzoate
PubChem CID576739
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(4-methoxycarbonylphenyl) 2-methylbenzoate
SMILESCOC(=O)c1ccc(OC(=O)c2ccccc2C)cc1
InChIInChI=1S/C16H14O4/c1-11-5-3-4-6-14(11)16(18)20-13-9-7-12(8-10-13)15(17)19-2/h3-10H,1-2H3
InChIKeyKXRCGJIKPOZBHT-UHFFFAOYSA-N
XLogP3.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methoxycarbonylphenyl) 2,4-dimethylbenzoate
CID 8961318
(4-methoxycarbonylphenyl) 2,5-dimethylbenzoate
CID 7956904
ethane;methane;methyl 2-methylbenzoate
CID 168902289
(4-methoxycarbonylphenyl) 2-ethylsulfonylbenzoate
CID 8777351
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
[2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate
CID 19645386
[4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 2-methylbenzoate
CID 5089286
(4-carbonochloridoyl-3-methylphenyl) 2-methylbenzoate
CID 54117728
bis(4-methoxycarbonylphenyl) oxalate
CID 70400946
[4-(4-methoxycarbonylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 59024973
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
5-O-methyl 1-O,3-O-diphenyl benzene-1,3,5-tricarboxylate
CID 71365622

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl) 2-methylbenzoate?
The IUPAC name of (4-methoxycarbonylphenyl) 2-methylbenzoate (CID 576739) is (4-methoxycarbonylphenyl) 2-methylbenzoate.
What is the SMILES notation for (4-methoxycarbonylphenyl) 2-methylbenzoate?
The canonical SMILES for (4-methoxycarbonylphenyl) 2-methylbenzoate is COC(=O)c1ccc(OC(=O)c2ccccc2C)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl) 2-methylbenzoate?
The InChIKey is KXRCGJIKPOZBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-11-5-3-4-6-14(11)16(18)20-13-9-7-12(8-10-13)15(17)19-2/h3-10H,1-2H3.
What are the key properties of (4-methoxycarbonylphenyl) 2-methylbenzoate?
(4-methoxycarbonylphenyl) 2-methylbenzoate has a molecular weight of 270.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl) 2-methylbenzoate is sourced from PubChem (CID 576739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).