(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol

C14H18BrFO — CID 106831073

IUPAC(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol
SMILESCC1(C(O)c2cccc(Br)c2F)CCCCC1
InChIInChI=1S/C14H18BrFO/c1-14(8-3-2-4-9-14)13(17)10-6-5-7-11(15)12(10)16/h5-7,13,17H,2-4,8-9H2,1H3
InChIKeyRAINZVSLKBUTKQ-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.59
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol

(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol (PubChem CID 106831073) has the molecular formula C14H18BrFO and a molecular weight of 301.20 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol
PubChem CID106831073
Molecular FormulaC14H18BrFO
Molecular Weight301.20 g/mol
Exact Mass300.05
IUPAC Name(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol
SMILESCC1(C(O)c2cccc(Br)c2F)CCCCC1
InChIInChI=1S/C14H18BrFO/c1-14(8-3-2-4-9-14)13(17)10-6-5-7-11(15)12(10)16/h5-7,13,17H,2-4,8-9H2,1H3
InChIKeyRAINZVSLKBUTKQ-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3-bromo-2-fluorophenyl)-(1-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

1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830781
(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol
CID 106645189
(7-bromo-1-benzothiophen-3-yl)-(1-methylcyclohexyl)methanol
CID 106828373
(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107193133
(2,6-difluorophenyl)-(1-methylcyclopentyl)methanol
CID 115799747
1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 106649216
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
1-[(3-bromo-2-fluorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106645829
(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829761
1-(3-bromo-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 106645237
(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol
CID 115834007
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylmethanamine
CID 106646157

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol (CID 106831073) is (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol is CC1(C(O)c2cccc(Br)c2F)CCCCC1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol?
The InChIKey is RAINZVSLKBUTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO/c1-14(8-3-2-4-9-14)13(17)10-6-5-7-11(15)12(10)16/h5-7,13,17H,2-4,8-9H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol?
(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol has a molecular weight of 301.20 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol is sourced from PubChem (CID 106831073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).