2-[(4-methylphenyl)methyl]benzoate

C15H13O2- — CID 7039635

IUPAC2-[(4-methylphenyl)methyl]benzoate
SMILESCc1ccc(Cc2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C15H14O2/c1-11-6-8-12(9-7-11)10-13-4-2-3-5-14(13)15(16)17/h2-9H,10H2,1H3,(H,16,17)/p-1
InChIKeyFVHMOFPRPCTXCM-UHFFFAOYSA-M
MW225.27 g/mol
LogP1.95
Rot. Bonds3

About 2-[(4-methylphenyl)methyl]benzoate

2-[(4-methylphenyl)methyl]benzoate (PubChem CID 7039635) has the molecular formula C15H13O2- and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]benzoate.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]benzoate
PubChem CID7039635
Molecular FormulaC15H13O2-
Molecular Weight225.27 g/mol
Exact Mass225.09
IUPAC Name2-[(4-methylphenyl)methyl]benzoate
SMILESCc1ccc(Cc2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C15H14O2/c1-11-6-8-12(9-7-11)10-13-4-2-3-5-14(13)15(16)17/h2-9H,10H2,1H3,(H,16,17)/p-1
InChIKeyFVHMOFPRPCTXCM-UHFFFAOYSA-M
XLogP1.95
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-phenylphenyl)methyl]benzoate
CID 2290992
N-methyl-2-[(4-methylphenyl)methyl]benzamide
CID 3722320
2-[(3-fluoro-4-methylphenyl)methyl]benzoate
CID 6990700
N-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide
CID 156791791
2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate
CID 155766667
barium(2+);bis(2-ethylbenzoate)
CID 101299927
bis(2-ethylbenzoate);lead(2+)
CID 101297382
4,6-bis[(4-methylphenyl)methyl]benzene-1,3-dicarboxylic acid
CID 22269445
2-benzyl-N-(4-methylphenyl)sulfonylbenzamide
CID 132940994
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
bis(2-butylbenzoate);cadmium(2+)
CID 101299924
5-methyl-2-[(4-methylphenyl)methyl]benzoic acid
CID 15740404

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]benzoate?
The IUPAC name of 2-[(4-methylphenyl)methyl]benzoate (CID 7039635) is 2-[(4-methylphenyl)methyl]benzoate.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]benzoate?
The canonical SMILES for 2-[(4-methylphenyl)methyl]benzoate is Cc1ccc(Cc2ccccc2C(=O)[O-])cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]benzoate?
The InChIKey is FVHMOFPRPCTXCM-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14O2/c1-11-6-8-12(9-7-11)10-13-4-2-3-5-14(13)15(16)17/h2-9H,10H2,1H3,(H,16,17)/p-1.
What are the key properties of 2-[(4-methylphenyl)methyl]benzoate?
2-[(4-methylphenyl)methyl]benzoate has a molecular weight of 225.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]benzoate is sourced from PubChem (CID 7039635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).