methyl 2-benzoylbenzoate

C15H12O3 — CID 11816

IUPACmethyl 2-benzoylbenzoate
SMILESCOC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyNQSMEZJWJJVYOI-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.70
Rot. Bonds3

About methyl 2-benzoylbenzoate

methyl 2-benzoylbenzoate (PubChem CID 11816) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-benzoylbenzoate.

Molecular Properties

Compound Namemethyl 2-benzoylbenzoate
PubChem CID11816
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Namemethyl 2-benzoylbenzoate
SMILESCOC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyNQSMEZJWJJVYOI-UHFFFAOYSA-N
XLogP2.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl Benzoate
CID 2345
Dibutyl Phthalate
CID 3026
Diethyl Phthalate
CID 6781
Butylphthalide
CID 61361
Dimethyl Phthalate
CID 8554
Diisobutyl phthalate
CID 6782
Phthalic Anhydride
CID 6811
Methyl Benzoate
CID 7150
di-N-Octyl Phthalate
CID 8346
Diisodecyl Phthalate
CID 33599
Dicyclohexyl phthalate
CID 6777
Butyl Benzyl Phthalate
CID 2347

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzoylbenzoate?
The IUPAC name of methyl 2-benzoylbenzoate (CID 11816) is methyl 2-benzoylbenzoate.
What is the SMILES notation for methyl 2-benzoylbenzoate?
The canonical SMILES for methyl 2-benzoylbenzoate is COC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of methyl 2-benzoylbenzoate?
The InChIKey is NQSMEZJWJJVYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of methyl 2-benzoylbenzoate?
methyl 2-benzoylbenzoate has a molecular weight of 240.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzoylbenzoate is sourced from PubChem (CID 11816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).