3-benzoyl-2-methylbenzoate

C15H11O3- — CID 7723745

IUPAC3-benzoyl-2-methylbenzoate
SMILESCc1c(C(=O)[O-])cccc1C(=O)c1ccccc1
InChIInChI=1S/C15H12O3/c1-10-12(8-5-9-13(10)15(17)18)14(16)11-6-3-2-4-7-11/h2-9H,1H3,(H,17,18)/p-1
InChIKeyYINTZOGUWXBHFA-UHFFFAOYSA-M
MW239.25 g/mol
LogP1.59
Rot. Bonds3

About 3-benzoyl-2-methylbenzoate

3-benzoyl-2-methylbenzoate (PubChem CID 7723745) has the molecular formula C15H11O3- and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-benzoyl-2-methylbenzoate.

Molecular Properties

Compound Name3-benzoyl-2-methylbenzoate
PubChem CID7723745
Molecular FormulaC15H11O3-
Molecular Weight239.25 g/mol
Exact Mass239.07
IUPAC Name3-benzoyl-2-methylbenzoate
SMILESCc1c(C(=O)[O-])cccc1C(=O)c1ccccc1
InChIInChI=1S/C15H12O3/c1-10-12(8-5-9-13(10)15(17)18)14(16)11-6-3-2-4-7-11/h2-9H,1H3,(H,17,18)/p-1
InChIKeyYINTZOGUWXBHFA-UHFFFAOYSA-M
XLogP1.59
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

disodium;2-methylbenzene-1,3-dicarboxylate
CID 70439180
(2-methyl-3-propan-2-ylphenyl)-phenylmethanone
CID 123852812
2-methylbenzene-1,3-dicarboxylic acid;(4-methylphenyl)-phenylmethanone
CID 174815281
2-(3,5-dimethylbenzoyl)benzoate
CID 4526891
4-(2,3-dimethylbenzoyl)benzoic acid
CID 175457920
(2-benzoylphenyl)-phenylmethanone;carboxy hydrogen carbonate
CID 173358152
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
ethane;benzoate
CID 161103305
ethane;benzoate
CID 90830280
N-acetyl-N-(2-benzoylphenyl)acetamide
CID 23206661
2-(4-fluorobenzoyl)benzoate
CID 5082940

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-2-methylbenzoate?
The IUPAC name of 3-benzoyl-2-methylbenzoate (CID 7723745) is 3-benzoyl-2-methylbenzoate.
What is the SMILES notation for 3-benzoyl-2-methylbenzoate?
The canonical SMILES for 3-benzoyl-2-methylbenzoate is Cc1c(C(=O)[O-])cccc1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-2-methylbenzoate?
The InChIKey is YINTZOGUWXBHFA-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12O3/c1-10-12(8-5-9-13(10)15(17)18)14(16)11-6-3-2-4-7-11/h2-9H,1H3,(H,17,18)/p-1.
What are the key properties of 3-benzoyl-2-methylbenzoate?
3-benzoyl-2-methylbenzoate has a molecular weight of 239.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-2-methylbenzoate is sourced from PubChem (CID 7723745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).