(4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol

C17H24F2O — CID 105091802

IUPAC(4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol
SMILESCC(C)(C)c1ccc(C(O)C2CCC(F)(F)CC2)cc1
InChIInChI=1S/C17H24F2O/c1-16(2,3)14-6-4-12(5-7-14)15(20)13-8-10-17(18,19)11-9-13/h4-7,13,15,20H,8-11H2,1-3H3
InChIKeyNWMBAXDUBMALKR-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.84
Rot. Bonds2

About (4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol

(4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol (PubChem CID 105091802) has the molecular formula C17H24F2O and a molecular weight of 282.37 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol
PubChem CID105091802
Molecular FormulaC17H24F2O
Molecular Weight282.37 g/mol
Exact Mass282.18
IUPAC Name(4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol
SMILESCC(C)(C)c1ccc(C(O)C2CCC(F)(F)CC2)cc1
InChIInChI=1S/C17H24F2O/c1-16(2,3)14-6-4-12(5-7-14)15(20)13-8-10-17(18,19)11-9-13/h4-7,13,15,20H,8-11H2,1-3H3
InChIKeyNWMBAXDUBMALKR-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 105095417
(4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol
CID 105116100
cyclobutyl-[4-(trifluoromethyl)phenyl]methanol
CID 64986363
cyclooctyl-[4-(trifluoromethyl)phenyl]methanol
CID 80603410
(4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol
CID 105091922
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol
CID 105131631
(4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol
CID 105112974
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol
CID 105093857
(S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 135313112
2-bromo-1-(4-tert-butylphenyl)ethanol
CID 79021934
(1S)-2-bromo-1-(4-tert-butylphenyl)ethanol
CID 83000693

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol?
The IUPAC name of (4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol (CID 105091802) is (4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol.
What is the SMILES notation for (4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol?
The canonical SMILES for (4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol is CC(C)(C)c1ccc(C(O)C2CCC(F)(F)CC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol?
The InChIKey is NWMBAXDUBMALKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O/c1-16(2,3)14-6-4-12(5-7-14)15(20)13-8-10-17(18,19)11-9-13/h4-7,13,15,20H,8-11H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol?
(4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol has a molecular weight of 282.37 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol is sourced from PubChem (CID 105091802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).