(3-bromo-5-fluorophenyl)-cyclohexylmethanol

C13H16BrFO — CID 66425421

IUPAC(3-bromo-5-fluorophenyl)-cyclohexylmethanol
SMILESOC(c1cc(F)cc(Br)c1)C1CCCCC1
InChIInChI=1S/C13H16BrFO/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2
InChIKeyPOCLKVDEUHQHQQ-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.20
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-cyclohexylmethanol

(3-bromo-5-fluorophenyl)-cyclohexylmethanol (PubChem CID 66425421) has the molecular formula C13H16BrFO and a molecular weight of 287.17 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-cyclohexylmethanol.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-cyclohexylmethanol
PubChem CID66425421
Molecular FormulaC13H16BrFO
Molecular Weight287.17 g/mol
Exact Mass286.04
IUPAC Name(3-bromo-5-fluorophenyl)-cyclohexylmethanol
SMILESOC(c1cc(F)cc(Br)c1)C1CCCCC1
InChIInChI=1S/C13H16BrFO/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2
InChIKeyPOCLKVDEUHQHQQ-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol
CID 171267777
(3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol
CID 107136132
cycloheptyl-(3-fluoro-5-methylphenyl)methanol
CID 79703242
(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol
CID 171267775
1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 66424249
cyclopentyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351164
[(3-bromo-5-fluorophenyl)-cyclopentylmethyl]hydrazine
CID 105238562
(3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79921119
[(3-bromo-5-fluorophenyl)-cyclobutylmethyl]hydrazine
CID 105238751
(3,5-dibromophenyl)-(oxan-4-yl)methanol
CID 107978364
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176
cycloheptyl-(3,5-dimethylphenyl)methanol
CID 65399155

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-cyclohexylmethanol?
The IUPAC name of (3-bromo-5-fluorophenyl)-cyclohexylmethanol (CID 66425421) is (3-bromo-5-fluorophenyl)-cyclohexylmethanol.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-cyclohexylmethanol?
The canonical SMILES for (3-bromo-5-fluorophenyl)-cyclohexylmethanol is OC(c1cc(F)cc(Br)c1)C1CCCCC1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-cyclohexylmethanol?
The InChIKey is POCLKVDEUHQHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2.
What are the key properties of (3-bromo-5-fluorophenyl)-cyclohexylmethanol?
(3-bromo-5-fluorophenyl)-cyclohexylmethanol has a molecular weight of 287.17 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-cyclohexylmethanol is sourced from PubChem (CID 66425421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).