(4-benzoylphenyl)methyl 2-methylprop-2-enoate

C18H16O3 — CID 140797450

IUPAC(4-benzoylphenyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H16O3/c1-13(2)18(20)21-12-14-8-10-16(11-9-14)17(19)15-6-4-3-5-7-15/h3-11H,1,12H2,2H3
InChIKeyAWRGGBSAYIQPPX-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.54
Rot. Bonds5

About (4-benzoylphenyl)methyl 2-methylprop-2-enoate

(4-benzoylphenyl)methyl 2-methylprop-2-enoate (PubChem CID 140797450) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (4-benzoylphenyl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-benzoylphenyl)methyl 2-methylprop-2-enoate
PubChem CID140797450
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(4-benzoylphenyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H16O3/c1-13(2)18(20)21-12-14-8-10-16(11-9-14)17(19)15-6-4-3-5-7-15/h3-11H,1,12H2,2H3
InChIKeyAWRGGBSAYIQPPX-UHFFFAOYSA-N
XLogP3.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
benzyl 2-methylprop-2-enoate;butane
CID 174907722
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
benzene-1,3-dicarboxylic acid;benzyl 2-methylprop-2-enoate
CID 70522984
[4-(benzenesulfonyl)phenyl]methyl 2-methylprop-2-enoate
CID 101049518
(4-benzoylphenyl)methyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
CID 86744144
benzyl 2-methylprop-2-enoate;prop-2-enamide
CID 174871125
(4-benzoylphenyl)methyl carbonochloridate
CID 10912734
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832811
benzyl 2-methylprop-2-enoate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-methylprop-2-enoate
CID 158265907
[4-(hydroperoxymethyl)phenyl]-phenylmethanone
CID 140726155
2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate
CID 22892321

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl)methyl 2-methylprop-2-enoate?
The IUPAC name of (4-benzoylphenyl)methyl 2-methylprop-2-enoate (CID 140797450) is (4-benzoylphenyl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (4-benzoylphenyl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (4-benzoylphenyl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzoylphenyl)methyl 2-methylprop-2-enoate?
The InChIKey is AWRGGBSAYIQPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-13(2)18(20)21-12-14-8-10-16(11-9-14)17(19)15-6-4-3-5-7-15/h3-11H,1,12H2,2H3.
What are the key properties of (4-benzoylphenyl)methyl 2-methylprop-2-enoate?
(4-benzoylphenyl)methyl 2-methylprop-2-enoate has a molecular weight of 280.32 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 140797450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).