1-(4-bromophenyl)-5-hydroxypent-1-en-3-one

C11H11BrO2 — CID 175031144

IUPAC1-(4-bromophenyl)-5-hydroxypent-1-en-3-one
SMILESO=C(C=Cc1ccc(Br)cc1)CCO
InChIInChI=1S/C11H11BrO2/c12-10-4-1-9(2-5-10)3-6-11(14)7-8-13/h1-6,13H,7-8H2
InChIKeyJIXVNVZUCDYEAP-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.41
Rot. Bonds4

About 1-(4-bromophenyl)-5-hydroxypent-1-en-3-one

1-(4-bromophenyl)-5-hydroxypent-1-en-3-one (PubChem CID 175031144) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-hydroxypent-1-en-3-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-hydroxypent-1-en-3-one
PubChem CID175031144
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name1-(4-bromophenyl)-5-hydroxypent-1-en-3-one
SMILESO=C(C=Cc1ccc(Br)cc1)CCO
InChIInChI=1S/C11H11BrO2/c12-10-4-1-9(2-5-10)3-6-11(14)7-8-13/h1-6,13H,7-8H2
InChIKeyJIXVNVZUCDYEAP-UHFFFAOYSA-N
XLogP2.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-5-hydroxypent-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-bis(4-bromophenyl)penta-1,4-dien-3-one
CID 5127600
ethyl 5-(4-bromophenyl)-3-oxopent-4-enoate
CID 54174182
3-(4-bromophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 61233441
4-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenylsulfinyl]but-3-en-2-one
CID 66992682
4-(4-bromophenyl)-1-[(E)-2-(4-bromophenyl)ethenyl]sulfonylbut-3-en-2-one
CID 173174217
(7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide
CID 58248651
methyl 3-(4-bromophenyl)prop-2-enoate
CID 816773
[4-[(E)-3-oxonon-1-enyl]phenyl] 4-bromobenzoate
CID 6376988
(E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide
CID 58248631
(E)-3-(4-bromophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 107483019
(E)-3-(4-bromophenyl)-N-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide
CID 113462676
(E)-1-hydroxy-8-(4-methylphenyl)oct-7-ene-2,6-dione
CID 58248588

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-hydroxypent-1-en-3-one?
The IUPAC name of 1-(4-bromophenyl)-5-hydroxypent-1-en-3-one (CID 175031144) is 1-(4-bromophenyl)-5-hydroxypent-1-en-3-one.
What is the SMILES notation for 1-(4-bromophenyl)-5-hydroxypent-1-en-3-one?
The canonical SMILES for 1-(4-bromophenyl)-5-hydroxypent-1-en-3-one is O=C(C=Cc1ccc(Br)cc1)CCO.
What is the InChIKey of 1-(4-bromophenyl)-5-hydroxypent-1-en-3-one?
The InChIKey is JIXVNVZUCDYEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c12-10-4-1-9(2-5-10)3-6-11(14)7-8-13/h1-6,13H,7-8H2.
What are the key properties of 1-(4-bromophenyl)-5-hydroxypent-1-en-3-one?
1-(4-bromophenyl)-5-hydroxypent-1-en-3-one has a molecular weight of 255.11 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-hydroxypent-1-en-3-one is sourced from PubChem (CID 175031144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).