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

C17H14O3 — CID 11230895

IUPAC(4-benzoylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H14O3/c1-12(2)17(19)20-15-10-8-14(9-11-15)16(18)13-6-4-3-5-7-13/h3-11H,1H2,2H3
InChIKeyRYWGNBFHIFRNEP-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.40
Rot. Bonds4

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

(4-benzoylphenyl) 2-methylprop-2-enoate (PubChem CID 11230895) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (4-benzoylphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-benzoylphenyl) 2-methylprop-2-enoate
PubChem CID11230895
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(4-benzoylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H14O3/c1-12(2)17(19)20-15-10-8-14(9-11-15)16(18)13-6-4-3-5-7-13/h3-11H,1H2,2H3
InChIKeyRYWGNBFHIFRNEP-UHFFFAOYSA-N
XLogP3.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl) 2-methylprop-2-enoate?
The IUPAC name of (4-benzoylphenyl) 2-methylprop-2-enoate (CID 11230895) is (4-benzoylphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-benzoylphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-benzoylphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzoylphenyl) 2-methylprop-2-enoate?
The InChIKey is RYWGNBFHIFRNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-12(2)17(19)20-15-10-8-14(9-11-15)16(18)13-6-4-3-5-7-13/h3-11H,1H2,2H3.
What are the key properties of (4-benzoylphenyl) 2-methylprop-2-enoate?
(4-benzoylphenyl) 2-methylprop-2-enoate has a molecular weight of 266.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 11230895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).