1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol

C13H16BrFO — CID 171367158

IUPAC1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol
SMILESCc1cc(Br)cc(C2(O)CCCCC2)c1F
InChIInChI=1S/C13H16BrFO/c1-9-7-10(14)8-11(12(9)15)13(16)5-3-2-4-6-13/h7-8,16H,2-6H2,1H3
InChIKeyHFFZVVOESNSFIW-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.05
Rot. Bonds1

About 1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol

1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol (PubChem CID 171367158) has the molecular formula C13H16BrFO and a molecular weight of 287.17 g/mol. Its IUPAC name is 1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol
PubChem CID171367158
Molecular FormulaC13H16BrFO
Molecular Weight287.17 g/mol
Exact Mass286.04
IUPAC Name1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol
SMILESCc1cc(Br)cc(C2(O)CCCCC2)c1F
InChIInChI=1S/C13H16BrFO/c1-9-7-10(14)8-11(12(9)15)13(16)5-3-2-4-6-13/h7-8,16H,2-6H2,1H3
InChIKeyHFFZVVOESNSFIW-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol?
The IUPAC name of 1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol (CID 171367158) is 1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol?
The canonical SMILES for 1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol is Cc1cc(Br)cc(C2(O)CCCCC2)c1F.
What is the InChIKey of 1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol?
The InChIKey is HFFZVVOESNSFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO/c1-9-7-10(14)8-11(12(9)15)13(16)5-3-2-4-6-13/h7-8,16H,2-6H2,1H3.
What are the key properties of 1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol?
1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol has a molecular weight of 287.17 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 171367158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).