methyl 2-(3-benzoylphenyl)-2-methylpropanoate

C18H18O3 — CID 54260282

IUPACmethyl 2-(3-benzoylphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C18H18O3/c1-18(2,17(20)21-3)15-11-7-10-14(12-15)16(19)13-8-5-4-6-9-13/h4-12H,1-3H3
InChIKeyRCZZNKUSTQNIKR-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.37
Rot. Bonds4

About methyl 2-(3-benzoylphenyl)-2-methylpropanoate

methyl 2-(3-benzoylphenyl)-2-methylpropanoate (PubChem CID 54260282) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-(3-benzoylphenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(3-benzoylphenyl)-2-methylpropanoate
PubChem CID54260282
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Namemethyl 2-(3-benzoylphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C18H18O3/c1-18(2,17(20)21-3)15-11-7-10-14(12-15)16(19)13-8-5-4-6-9-13/h4-12H,1-3H3
InChIKeyRCZZNKUSTQNIKR-UHFFFAOYSA-N
XLogP3.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methoxy-2-methyl-1-oxopropan-2-yl)benzoic acid
CID 116989106
2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane
CID 143590159
CID 91481469
CID 91481469
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
2,2-dimethylpropane;diphenylmethanone
CID 159191976
3-(2-carboxypropan-2-yl)benzoic acid
CID 19965411
[3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone
CID 66721962
2-(3-benzoylphenyl)-2-fluoropropanedioic acid
CID 139618703
ethyl 2-(3-benzoylphenyl)-2-cyanopropanoate
CID 20532025
[3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone
CID 134547269
methyl 3-(2-methyl-2-phenylpropanoyl)benzoate
CID 101188691
[2-(3-benzoylphenyl)-2-methylpropyl] 4-methylbenzenesulfonate
CID 12805123

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-benzoylphenyl)-2-methylpropanoate?
The IUPAC name of methyl 2-(3-benzoylphenyl)-2-methylpropanoate (CID 54260282) is methyl 2-(3-benzoylphenyl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(3-benzoylphenyl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(3-benzoylphenyl)-2-methylpropanoate is COC(=O)C(C)(C)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of methyl 2-(3-benzoylphenyl)-2-methylpropanoate?
The InChIKey is RCZZNKUSTQNIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-18(2,17(20)21-3)15-11-7-10-14(12-15)16(19)13-8-5-4-6-9-13/h4-12H,1-3H3.
What are the key properties of methyl 2-(3-benzoylphenyl)-2-methylpropanoate?
methyl 2-(3-benzoylphenyl)-2-methylpropanoate has a molecular weight of 282.34 g/mol, XLogP of 3.37, 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)-2-methylpropanoate is sourced from PubChem (CID 54260282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).