(4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol

C15H19BrF2O — CID 115805778

IUPAC(4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol
SMILESCC1CC(C)CC(C(O)c2c(F)cc(Br)cc2F)C1
InChIInChI=1S/C15H19BrF2O/c1-8-3-9(2)5-10(4-8)15(19)14-12(17)6-11(16)7-13(14)18/h6-10,15,19H,3-5H2,1-2H3
InChIKeyLTGZRCGIUCFMKM-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.83
Rot. Bonds2

About (4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol

(4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol (PubChem CID 115805778) has the molecular formula C15H19BrF2O and a molecular weight of 333.22 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol
PubChem CID115805778
Molecular FormulaC15H19BrF2O
Molecular Weight333.22 g/mol
Exact Mass332.06
IUPAC Name(4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol
SMILESCC1CC(C)CC(C(O)c2c(F)cc(Br)cc2F)C1
InChIInChI=1S/C15H19BrF2O/c1-8-3-9(2)5-10(4-8)15(19)14-12(17)6-11(16)7-13(14)18/h6-10,15,19H,3-5H2,1-2H3
InChIKeyLTGZRCGIUCFMKM-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol (CID 115805778) is (4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol is CC1CC(C)CC(C(O)c2c(F)cc(Br)cc2F)C1.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol?
The InChIKey is LTGZRCGIUCFMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF2O/c1-8-3-9(2)5-10(4-8)15(19)14-12(17)6-11(16)7-13(14)18/h6-10,15,19H,3-5H2,1-2H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol?
(4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol has a molecular weight of 333.22 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol is sourced from PubChem (CID 115805778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).