(2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol

C14H18BrFO — CID 114885757

IUPAC(2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)c2c(F)cccc2Br)C1
InChIInChI=1S/C14H18BrFO/c1-9-4-2-5-10(8-9)14(17)13-11(15)6-3-7-12(13)16/h3,6-7,9-10,14,17H,2,4-5,8H2,1H3
InChIKeyPVLHXEIRWIGEFK-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.45
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol

(2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol (PubChem CID 114885757) has the molecular formula C14H18BrFO and a molecular weight of 301.20 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol
PubChem CID114885757
Molecular FormulaC14H18BrFO
Molecular Weight301.20 g/mol
Exact Mass300.05
IUPAC Name(2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)c2c(F)cccc2Br)C1
InChIInChI=1S/C14H18BrFO/c1-9-4-2-5-10(8-9)14(17)13-11(15)6-3-7-12(13)16/h3,6-7,9-10,14,17H,2,4-5,8H2,1H3
InChIKeyPVLHXEIRWIGEFK-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol 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

(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol
CID 106645085
2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol
CID 55187545
(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
CID 114724076
N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine
CID 114887135
2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 112653098
(3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 63411173
1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
CID 114887295
(3-cyclobutylphenyl)-(3-methylcyclohexyl)methanol
CID 114601424
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
CID 130636781
[3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol
CID 105104222
(2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114885572

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol?
The IUPAC name of (2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol (CID 114885757) is (2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol is CC1CCCC(C(O)c2c(F)cccc2Br)C1.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol?
The InChIKey is PVLHXEIRWIGEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO/c1-9-4-2-5-10(8-9)14(17)13-11(15)6-3-7-12(13)16/h3,6-7,9-10,14,17H,2,4-5,8H2,1H3.
What are the key properties of (2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol?
(2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol has a molecular weight of 301.20 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol is sourced from PubChem (CID 114885757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).