2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol

C14H16BrFO — CID 65149611

IUPAC2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol
SMILESOC(Cc1cc(Br)ccc1F)C1CC=CCC1
InChIInChI=1S/C14H16BrFO/c15-12-6-7-13(16)11(8-12)9-14(17)10-4-2-1-3-5-10/h1-2,6-8,10,14,17H,3-5,9H2
InChIKeyOIFGXCDCMMHJOD-UHFFFAOYSA-N
MW299.18 g/mol
LogP3.85
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol

2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol (PubChem CID 65149611) has the molecular formula C14H16BrFO and a molecular weight of 299.18 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol
PubChem CID65149611
Molecular FormulaC14H16BrFO
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol
SMILESOC(Cc1cc(Br)ccc1F)C1CC=CCC1
InChIInChI=1S/C14H16BrFO/c15-12-6-7-13(16)11(8-12)9-14(17)10-4-2-1-3-5-10/h1-2,6-8,10,14,17H,3-5,9H2
InChIKeyOIFGXCDCMMHJOD-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol 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

2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 115784886
2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine
CID 55095635
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 65148571
2-(5-bromo-2-fluorophenyl)-1-(3-cyclopropylphenyl)ethanol
CID 79980480
2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980726
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105086657
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408
1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452352
1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 115784854
3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one
CID 112743598
N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528286

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol (CID 65149611) is 2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol is OC(Cc1cc(Br)ccc1F)C1CC=CCC1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol?
The InChIKey is OIFGXCDCMMHJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFO/c15-12-6-7-13(16)11(8-12)9-14(17)10-4-2-1-3-5-10/h1-2,6-8,10,14,17H,3-5,9H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol?
2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol has a molecular weight of 299.18 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol is sourced from PubChem (CID 65149611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).