1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol

C12H16BrFO2 — CID 65092198

IUPAC1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol
SMILESCOCCCC(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFO2/c1-16-6-2-3-11(15)7-9-4-5-10(13)8-12(9)14/h4-5,8,11,15H,2-3,6-7H2,1H3
InChIKeyQYLSZGIHYZLRLL-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.92
Rot. Bonds6

About 1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol

1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol (PubChem CID 65092198) has the molecular formula C12H16BrFO2 and a molecular weight of 291.16 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol
PubChem CID65092198
Molecular FormulaC12H16BrFO2
Molecular Weight291.16 g/mol
Exact Mass290.03
IUPAC Name1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol
SMILESCOCCCC(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFO2/c1-16-6-2-3-11(15)7-9-4-5-10(13)8-12(9)14/h4-5,8,11,15H,2-3,6-7H2,1H3
InChIKeyQYLSZGIHYZLRLL-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-bromo-2-fluorophenyl)-5-methoxypentan-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

1-(2-fluorophenyl)-5-methoxypentan-2-ol
CID 62606164
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
1-(4-bromophenyl)-5-methoxypentan-2-ol
CID 62608729
1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol
CID 65092433
1-(2-chloro-3-fluorophenyl)-5-methoxypentan-2-ol
CID 112653463
1-(2-bromo-5-methoxyphenyl)-5-methoxypentan-2-ol
CID 65325734
1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol
CID 116659912
4-bromo-2-fluoro-1-(2-methylhexyl)benzene
CID 174421477
1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol
CID 116710912
1-(4-bromo-2-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135215
1-(3,5-difluorophenyl)-5-methoxypentan-2-ol
CID 115601584
1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol
CID 65091903

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol (CID 65092198) is 1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol is COCCCC(O)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol?
The InChIKey is QYLSZGIHYZLRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFO2/c1-16-6-2-3-11(15)7-9-4-5-10(13)8-12(9)14/h4-5,8,11,15H,2-3,6-7H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol?
1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol has a molecular weight of 291.16 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol is sourced from PubChem (CID 65092198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).