1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol

C13H16BrFO — CID 106644257

IUPAC1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(c2cccc(Br)c2F)C1
InChIInChI=1S/C13H16BrFO/c1-9-4-3-7-13(16,8-9)10-5-2-6-11(14)12(10)15/h2,5-6,9,16H,3-4,7-8H2,1H3
InChIKeyHBRRLBUOLMHXFP-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.99
Rot. Bonds1

About 1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol

1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol (PubChem CID 106644257) has the molecular formula C13H16BrFO and a molecular weight of 287.17 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol
PubChem CID106644257
Molecular FormulaC13H16BrFO
Molecular Weight287.17 g/mol
Exact Mass286.04
IUPAC Name1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(c2cccc(Br)c2F)C1
InChIInChI=1S/C13H16BrFO/c1-9-4-3-7-13(16,8-9)10-5-2-6-11(14)12(10)15/h2,5-6,9,16H,3-4,7-8H2,1H3
InChIKeyHBRRLBUOLMHXFP-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol
CID 125425810
1-(3-bromo-2-fluorophenyl)-4-propan-2-ylcycloheptan-1-ol
CID 106644452
1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol
CID 64516207
1-(3-bromo-2-fluorophenyl)-4,4-dimethylcycloheptan-1-ol
CID 106644450
3-(3-bromo-2-fluorophenyl)-2-methylthian-3-ol
CID 106644484
1-(5-fluoro-2-methylphenyl)-3-methylcyclohexan-1-ol
CID 62788300
1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol
CID 106644568
3-(3-bromo-2-fluorophenyl)azetidin-3-ol
CID 106644465
1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol
CID 64736348
1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol
CID 104658449
1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine
CID 63989623
1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol
CID 82820086

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol (CID 106644257) is 1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol is CC1CCCC(O)(c2cccc(Br)c2F)C1.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol?
The InChIKey is HBRRLBUOLMHXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO/c1-9-4-3-7-13(16,8-9)10-5-2-6-11(14)12(10)15/h2,5-6,9,16H,3-4,7-8H2,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol?
1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol has a molecular weight of 287.17 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol is sourced from PubChem (CID 106644257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).