methyl 2-(3-benzoylphenyl)(311C)propanoate

C17H16O3 — CID 46218266

IUPACmethyl 2-(3-benzoylphenyl)(311C)propanoate
SMILESCOC(=O)C([11CH3])c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C17H16O3/c1-12(17(19)20-2)14-9-6-10-15(11-14)16(18)13-7-4-3-5-8-13/h3-12H,1-2H3/i1-1
InChIKeyBIOCOYIPJQMGTN-BJUDXGSMSA-N
MW267.31 g/mol
LogP3.19
Rot. Bonds4

About methyl 2-(3-benzoylphenyl)(311C)propanoate

methyl 2-(3-benzoylphenyl)(311C)propanoate (PubChem CID 46218266) has the molecular formula C17H16O3 and a molecular weight of 267.31 g/mol. Its IUPAC name is methyl 2-(3-benzoylphenyl)(311C)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-benzoylphenyl)(311C)propanoate
PubChem CID46218266
Molecular FormulaC17H16O3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Namemethyl 2-(3-benzoylphenyl)(311C)propanoate
SMILESCOC(=O)C([11CH3])c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C17H16O3/c1-12(17(19)20-2)14-9-6-10-15(11-14)16(18)13-7-4-3-5-8-13/h3-12H,1-2H3/i1-1
InChIKeyBIOCOYIPJQMGTN-BJUDXGSMSA-N
XLogP3.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-benzoylphenyl)(311C)propanoate?
The IUPAC name of methyl 2-(3-benzoylphenyl)(311C)propanoate (CID 46218266) is methyl 2-(3-benzoylphenyl)(311C)propanoate.
What is the SMILES notation for methyl 2-(3-benzoylphenyl)(311C)propanoate?
The canonical SMILES for methyl 2-(3-benzoylphenyl)(311C)propanoate is COC(=O)C([11CH3])c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of methyl 2-(3-benzoylphenyl)(311C)propanoate?
The InChIKey is BIOCOYIPJQMGTN-BJUDXGSMSA-N. The full InChI is InChI=1S/C17H16O3/c1-12(17(19)20-2)14-9-6-10-15(11-14)16(18)13-7-4-3-5-8-13/h3-12H,1-2H3/i1-1.
What are the key properties of methyl 2-(3-benzoylphenyl)(311C)propanoate?
methyl 2-(3-benzoylphenyl)(311C)propanoate has a molecular weight of 267.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-benzoylphenyl)(311C)propanoate is sourced from PubChem (CID 46218266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).