1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol

C11H12BrFO — CID 116659912

IUPAC1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol
SMILESC=CCC(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C11H12BrFO/c1-2-3-10(14)6-8-4-5-9(12)7-11(8)13/h2,4-5,7,10,14H,1,3,6H2
InChIKeyUCEXEYKKCBAHFL-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.07
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol

1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol (PubChem CID 116659912) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol
PubChem CID116659912
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol
SMILESC=CCC(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C11H12BrFO/c1-2-3-10(14)6-8-4-5-9(12)7-11(8)13/h2,4-5,7,10,14H,1,3,6H2
InChIKeyUCEXEYKKCBAHFL-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol 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

(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
4-bromo-2-fluoro-1-prop-2-enylbenzene
CID 24722089
1-(4-bromo-2-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135215
1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol
CID 65092198
1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol
CID 65148579
2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol
CID 62608623
2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol
CID 115788510
2-bromo-3-(4-bromo-2-fluorophenyl)propanamide
CID 104513020
1-(4-aminophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 106695442
1-(5-bromo-2,4-difluorophenyl)hex-5-en-3-ol
CID 89286870
1-(2,4-difluorophenyl)hept-6-en-2-ol
CID 64561193
3-(4-bromo-2-fluorophenyl)-1,1-diethoxypropan-2-ol
CID 79495756

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol (CID 116659912) is 1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol is C=CCC(O)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol?
The InChIKey is UCEXEYKKCBAHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO/c1-2-3-10(14)6-8-4-5-9(12)7-11(8)13/h2,4-5,7,10,14H,1,3,6H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol?
1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol has a molecular weight of 259.12 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol is sourced from PubChem (CID 116659912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).