(Z)-4-(4-bromophenyl)pent-3-en-2-one

C11H11BrO — CID 23336317

IUPAC(Z)-4-(4-bromophenyl)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrO/c1-8(7-9(2)13)10-3-5-11(12)6-4-10/h3-7H,1-2H3/b8-7-
InChIKeyYRYKZNDFPKATAA-FPLPWBNLSA-N
MW239.11 g/mol
LogP3.44
Rot. Bonds2

About (Z)-4-(4-bromophenyl)pent-3-en-2-one

(Z)-4-(4-bromophenyl)pent-3-en-2-one (PubChem CID 23336317) has the molecular formula C11H11BrO and a molecular weight of 239.11 g/mol. Its IUPAC name is (Z)-4-(4-bromophenyl)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(4-bromophenyl)pent-3-en-2-one
PubChem CID23336317
Molecular FormulaC11H11BrO
Molecular Weight239.11 g/mol
Exact Mass238.00
IUPAC Name(Z)-4-(4-bromophenyl)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrO/c1-8(7-9(2)13)10-3-5-11(12)6-4-10/h3-7H,1-2H3/b8-7-
InChIKeyYRYKZNDFPKATAA-FPLPWBNLSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,3-bis(4-bromophenyl)but-2-en-1-one
CID 6062603
4-phenylpent-3-en-2-one
CID 594380
1-bromo-4-but-2-en-2-ylbenzene
CID 72775371
ethane;4-phenylpent-3-en-2-one
CID 123324566
1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene
CID 145067539
4-(4-bromophenyl)-4-difluoroboranyloxybut-3-en-2-one
CID 3092062
benzene;1-(4-bromophenyl)ethanone
CID 174710467
(Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one
CID 103970826
1-bromo-4-[(E)-3-(4-bromophenyl)but-2-en-2-yl]benzene;1-(4-bromophenyl)ethanone
CID 157172690
1-(4-bromophenyl)ethanone;butane
CID 69403420
acetyl 4-bromobenzoate
CID 12637961
(E)-4-(4-bromophenoxy)-4-phenylbut-3-en-2-one
CID 122401366

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-bromophenyl)pent-3-en-2-one?
The IUPAC name of (Z)-4-(4-bromophenyl)pent-3-en-2-one (CID 23336317) is (Z)-4-(4-bromophenyl)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-(4-bromophenyl)pent-3-en-2-one?
The canonical SMILES for (Z)-4-(4-bromophenyl)pent-3-en-2-one is CC(=O)/C=C(/C)c1ccc(Br)cc1.
What is the InChIKey of (Z)-4-(4-bromophenyl)pent-3-en-2-one?
The InChIKey is YRYKZNDFPKATAA-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H11BrO/c1-8(7-9(2)13)10-3-5-11(12)6-4-10/h3-7H,1-2H3/b8-7-.
What are the key properties of (Z)-4-(4-bromophenyl)pent-3-en-2-one?
(Z)-4-(4-bromophenyl)pent-3-en-2-one has a molecular weight of 239.11 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-bromophenyl)pent-3-en-2-one is sourced from PubChem (CID 23336317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).