2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol

C10H9BrClFO — CID 170497380

IUPAC2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol
SMILESOc1c(F)cc(Cl)cc1C=CCCBr
InChIInChI=1S/C10H9BrClFO/c11-4-2-1-3-7-5-8(12)6-9(13)10(7)14/h1,3,5-6,14H,2,4H2
InChIKeyJTZFNWIZGOWDNB-UHFFFAOYSA-N
MW279.54 g/mol
LogP3.98
Rot. Bonds3

About 2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol

2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol (PubChem CID 170497380) has the molecular formula C10H9BrClFO and a molecular weight of 279.54 g/mol. Its IUPAC name is 2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol.

Molecular Properties

Compound Name2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol
PubChem CID170497380
Molecular FormulaC10H9BrClFO
Molecular Weight279.54 g/mol
Exact Mass277.95
IUPAC Name2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol
SMILESOc1c(F)cc(Cl)cc1C=CCCBr
InChIInChI=1S/C10H9BrClFO/c11-4-2-1-3-7-5-8(12)6-9(13)10(7)14/h1,3,5-6,14H,2,4H2
InChIKeyJTZFNWIZGOWDNB-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.54
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol 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

4-(4-bromobut-1-enyl)-2,6-difluorophenol
CID 170497385
1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene
CID 170497258
4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene
CID 170497026
2-(4-bromobut-1-enyl)-1,4-difluorobenzene
CID 79603526
4-(4-bromobut-1-enyl)-5-chloro-2-fluoroaniline
CID 170497500
4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol
CID 170476605
4-chloro-2-ethenyl-6-fluorophenol
CID 89379565
4-(4-bromobut-1-enyl)-2,5-difluorobenzaldehyde
CID 170497757
4-(4-bromobut-1-enyl)-3,5-difluorophenol
CID 170497383
2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline
CID 169475530
1-(4-bromobut-1-enyl)-3,4-difluoro-2-methylbenzene
CID 170497285
4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol
CID 170498109

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol?
The IUPAC name of 2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol (CID 170497380) is 2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol.
What is the SMILES notation for 2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol?
The canonical SMILES for 2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol is Oc1c(F)cc(Cl)cc1C=CCCBr.
What is the InChIKey of 2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol?
The InChIKey is JTZFNWIZGOWDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFO/c11-4-2-1-3-7-5-8(12)6-9(13)10(7)14/h1,3,5-6,14H,2,4H2.
What are the key properties of 2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol?
2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol has a molecular weight of 279.54 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol is sourced from PubChem (CID 170497380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).