(E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one

C17H15BrO — CID 162648761

IUPAC(E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one
SMILESO=C(/C=C/CCc1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H15BrO/c18-16-12-6-4-8-14(16)9-5-7-13-17(19)15-10-2-1-3-11-15/h1-4,6-8,10-13H,5,9H2/b13-7+
InChIKeyHRQGFPWSRBXOPW-NTUHNPAUSA-N
MW315.21 g/mol
LogP4.82
Rot. Bonds5

About (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one

(E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one (PubChem CID 162648761) has the molecular formula C17H15BrO and a molecular weight of 315.21 g/mol. Its IUPAC name is (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one
PubChem CID162648761
Molecular FormulaC17H15BrO
Molecular Weight315.21 g/mol
Exact Mass314.03
IUPAC Name(E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one
SMILESO=C(/C=C/CCc1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H15BrO/c18-16-12-6-4-8-14(16)9-5-7-13-17(19)15-10-2-1-3-11-15/h1-4,6-8,10-13H,5,9H2/b13-7+
InChIKeyHRQGFPWSRBXOPW-NTUHNPAUSA-N
XLogP4.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.82
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)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one?
The IUPAC name of (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one (CID 162648761) is (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one.
What is the SMILES notation for (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one?
The canonical SMILES for (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one is O=C(/C=C/CCc1ccccc1Br)c1ccccc1.
What is the InChIKey of (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one?
The InChIKey is HRQGFPWSRBXOPW-NTUHNPAUSA-N. The full InChI is InChI=1S/C17H15BrO/c18-16-12-6-4-8-14(16)9-5-7-13-17(19)15-10-2-1-3-11-15/h1-4,6-8,10-13H,5,9H2/b13-7+.
What are the key properties of (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one?
(E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one has a molecular weight of 315.21 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one is sourced from PubChem (CID 162648761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).