(E)-5-(4-bromophenyl)pent-4-en-2-one

C11H11BrO — CID 131239748

IUPAC(E)-5-(4-bromophenyl)pent-4-en-2-one
SMILESCC(=O)C/C=C/c1ccc(Br)cc1
InChIInChI=1S/C11H11BrO/c1-9(13)3-2-4-10-5-7-11(12)8-6-10/h2,4-8H,3H2,1H3/b4-2+
InChIKeyAPEJHCJZQNQEKP-DUXPYHPUSA-N
MW239.11 g/mol
LogP3.44
Rot. Bonds3

About (E)-5-(4-bromophenyl)pent-4-en-2-one

(E)-5-(4-bromophenyl)pent-4-en-2-one (PubChem CID 131239748) has the molecular formula C11H11BrO and a molecular weight of 239.11 g/mol. Its IUPAC name is (E)-5-(4-bromophenyl)pent-4-en-2-one.

Molecular Properties

Compound Name(E)-5-(4-bromophenyl)pent-4-en-2-one
PubChem CID131239748
Molecular FormulaC11H11BrO
Molecular Weight239.11 g/mol
Exact Mass238.00
IUPAC Name(E)-5-(4-bromophenyl)pent-4-en-2-one
SMILESCC(=O)C/C=C/c1ccc(Br)cc1
InChIInChI=1S/C11H11BrO/c1-9(13)3-2-4-10-5-7-11(12)8-6-10/h2,4-8H,3H2,1H3/b4-2+
InChIKeyAPEJHCJZQNQEKP-DUXPYHPUSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(E)-6-(4-bromophenyl)hex-5-enoic acid
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(Z)-3-(4-bromophenyl)prop-2-en-1-amine
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4-(3-bromo-4-methylphenyl)but-3-enoic acid
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(E)-3-(4-bromophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one
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(Z)-4-(4-methylphenyl)but-3-enoic acid
CID 94034249
(E)-5-(4-bromophenyl)pent-4-en-1-ol
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N-[3-(4-bromophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347756
1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene
CID 82085965
methyl 3-(4-bromophenyl)prop-2-enoate
CID 816773
4-(4-prop-1-en-2-ylphenyl)but-3-enamide
CID 170797716

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-bromophenyl)pent-4-en-2-one?
The IUPAC name of (E)-5-(4-bromophenyl)pent-4-en-2-one (CID 131239748) is (E)-5-(4-bromophenyl)pent-4-en-2-one.
What is the SMILES notation for (E)-5-(4-bromophenyl)pent-4-en-2-one?
The canonical SMILES for (E)-5-(4-bromophenyl)pent-4-en-2-one is CC(=O)C/C=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-5-(4-bromophenyl)pent-4-en-2-one?
The InChIKey is APEJHCJZQNQEKP-DUXPYHPUSA-N. The full InChI is InChI=1S/C11H11BrO/c1-9(13)3-2-4-10-5-7-11(12)8-6-10/h2,4-8H,3H2,1H3/b4-2+.
What are the key properties of (E)-5-(4-bromophenyl)pent-4-en-2-one?
(E)-5-(4-bromophenyl)pent-4-en-2-one has a molecular weight of 239.11 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-bromophenyl)pent-4-en-2-one is sourced from PubChem (CID 131239748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).