(2-bromo-4-fluorophenyl)-cyclohexylmethanol

C13H16BrFO — CID 91636325

IUPAC(2-bromo-4-fluorophenyl)-cyclohexylmethanol
SMILESOC(c1ccc(F)cc1Br)C1CCCCC1
InChIInChI=1S/C13H16BrFO/c14-12-8-10(15)6-7-11(12)13(16)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2
InChIKeyGTOSCWOLXXKIMD-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.20
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-cyclohexylmethanol

(2-bromo-4-fluorophenyl)-cyclohexylmethanol (PubChem CID 91636325) has the molecular formula C13H16BrFO and a molecular weight of 287.17 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-cyclohexylmethanol.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-cyclohexylmethanol
PubChem CID91636325
Molecular FormulaC13H16BrFO
Molecular Weight287.17 g/mol
Exact Mass286.04
IUPAC Name(2-bromo-4-fluorophenyl)-cyclohexylmethanol
SMILESOC(c1ccc(F)cc1Br)C1CCCCC1
InChIInChI=1S/C13H16BrFO/c14-12-8-10(15)6-7-11(12)13(16)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2
InChIKeyGTOSCWOLXXKIMD-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

(2-bromo-4-methylphenyl)-cycloheptylmethanol
CID 82928098
cycloheptyl-(2,5-difluorophenyl)methanol
CID 55091243
(R)-cycloheptyl-(2,5-difluorophenyl)methanol
CID 94502433
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176
cyclopentyl-(4-fluoro-2-methylphenyl)methanol
CID 62789449
(2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822082
1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027896
(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
CID 96691275
cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002
[1-(2-bromo-4-fluorophenyl)-2-cyclohexylethyl]hydrazine
CID 105296167
2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol
CID 62605945
(2-chloro-4-fluorophenyl)-cyclopropylmethanol
CID 58392404

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-cyclohexylmethanol?
The IUPAC name of (2-bromo-4-fluorophenyl)-cyclohexylmethanol (CID 91636325) is (2-bromo-4-fluorophenyl)-cyclohexylmethanol.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-cyclohexylmethanol?
The canonical SMILES for (2-bromo-4-fluorophenyl)-cyclohexylmethanol is OC(c1ccc(F)cc1Br)C1CCCCC1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-cyclohexylmethanol?
The InChIKey is GTOSCWOLXXKIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO/c14-12-8-10(15)6-7-11(12)13(16)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2.
What are the key properties of (2-bromo-4-fluorophenyl)-cyclohexylmethanol?
(2-bromo-4-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 (2-bromo-4-fluorophenyl)-cyclohexylmethanol is sourced from PubChem (CID 91636325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).