[4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol

C15H18BrF3O — CID 64776028

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol
SMILESCC1CCC(C(O)c2ccc(Br)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H18BrF3O/c1-9-2-4-10(5-3-9)14(20)12-7-6-11(16)8-13(12)15(17,18)19/h6-10,14,20H,2-5H2,1H3
InChIKeyPUBXOWWWIGGPRF-UHFFFAOYSA-N
MW351.21 g/mol
LogP5.33
Rot. Bonds2

About [4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol

[4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol (PubChem CID 64776028) has the molecular formula C15H18BrF3O and a molecular weight of 351.21 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol
PubChem CID64776028
Molecular FormulaC15H18BrF3O
Molecular Weight351.21 g/mol
Exact Mass350.05
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol
SMILESCC1CCC(C(O)c2ccc(Br)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H18BrF3O/c1-9-2-4-10(5-3-9)14(20)12-7-6-11(16)8-13(12)15(17,18)19/h6-10,14,20H,2-5H2,1H3
InChIKeyPUBXOWWWIGGPRF-UHFFFAOYSA-N
XLogP5.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.21
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol (CID 64776028) is [4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol is CC1CCC(C(O)c2ccc(Br)cc2C(F)(F)F)CC1.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol?
The InChIKey is PUBXOWWWIGGPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF3O/c1-9-2-4-10(5-3-9)14(20)12-7-6-11(16)8-13(12)15(17,18)19/h6-10,14,20H,2-5H2,1H3.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol?
[4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol has a molecular weight of 351.21 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol is sourced from PubChem (CID 64776028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).