(E)-1-(2-bromophenyl)-3-phenylprop-2-en-1-one

C15H11BrO — CID 7946991

IUPAC(E)-1-(2-bromophenyl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccccc1Br
InChIInChI=1S/C15H11BrO/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+
InChIKeyWXJLEXKNEAEXTI-ZHACJKMWSA-N
MW287.16 g/mol
LogP4.35
Rot. Bonds3

About (E)-1-(2-bromophenyl)-3-phenylprop-2-en-1-one

(E)-1-(2-bromophenyl)-3-phenylprop-2-en-1-one (PubChem CID 7946991) has the molecular formula C15H11BrO and a molecular weight of 287.16 g/mol. Its IUPAC name is (E)-1-(2-bromophenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-bromophenyl)-3-phenylprop-2-en-1-one
PubChem CID7946991
Molecular FormulaC15H11BrO
Molecular Weight287.16 g/mol
Exact Mass286.00
IUPAC Name(E)-1-(2-bromophenyl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccccc1Br
InChIInChI=1S/C15H11BrO/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+
InChIKeyWXJLEXKNEAEXTI-ZHACJKMWSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-bromophenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(2-bromophenyl)-3-phenylprop-2-en-1-one (CID 7946991) is (E)-1-(2-bromophenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-bromophenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2-bromophenyl)-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)c1ccccc1Br.
What is the InChIKey of (E)-1-(2-bromophenyl)-3-phenylprop-2-en-1-one?
The InChIKey is WXJLEXKNEAEXTI-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H11BrO/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+.
What are the key properties of (E)-1-(2-bromophenyl)-3-phenylprop-2-en-1-one?
(E)-1-(2-bromophenyl)-3-phenylprop-2-en-1-one has a molecular weight of 287.16 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-bromophenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 7946991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).