(E)-1-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one

C15H10BrClO — CID 6103390

IUPAC(E)-1-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H10BrClO/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-10H/b10-7+
InChIKeyBEAOMTXVYPADSY-JXMROGBWSA-N
MW321.60 g/mol
LogP5.00
Rot. Bonds3

About (E)-1-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one

(E)-1-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one (PubChem CID 6103390) has the molecular formula C15H10BrClO and a molecular weight of 321.60 g/mol. Its IUPAC name is (E)-1-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one
PubChem CID6103390
Molecular FormulaC15H10BrClO
Molecular Weight321.60 g/mol
Exact Mass319.96
IUPAC Name(E)-1-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H10BrClO/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-10H/b10-7+
InChIKeyBEAOMTXVYPADSY-JXMROGBWSA-N
XLogP5.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 55.00
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-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one (CID 6103390) is (E)-1-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one is O=C(/C=C/c1ccccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of (E)-1-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one?
The InChIKey is BEAOMTXVYPADSY-JXMROGBWSA-N. The full InChI is InChI=1S/C15H10BrClO/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-10H/b10-7+.
What are the key properties of (E)-1-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one?
(E)-1-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one has a molecular weight of 321.60 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one is sourced from PubChem (CID 6103390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).