(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol

C15H20F2O3 — CID 105131631

IUPAC(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C15H20F2O3/c1-19-11-4-3-5-12(20-2)13(11)14(18)10-6-8-15(16,17)9-7-10/h3-5,10,14,18H,6-9H2,1-2H3
InChIKeyVMIGKPHQPBUCBX-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.56
Rot. Bonds4

About (4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol

(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol (PubChem CID 105131631) has the molecular formula C15H20F2O3 and a molecular weight of 286.32 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol
PubChem CID105131631
Molecular FormulaC15H20F2O3
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C15H20F2O3/c1-19-11-4-3-5-12(20-2)13(11)14(18)10-6-8-15(16,17)9-7-10/h3-5,10,14,18H,6-9H2,1-2H3
InChIKeyVMIGKPHQPBUCBX-UHFFFAOYSA-N
XLogP3.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol
CID 114054843
(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122331
1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 105125713
(4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 105095417
3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol
CID 115838554
(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine
CID 105093642
(4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol
CID 105091922
[(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105285751
(2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol
CID 116810169
1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 105083584
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol
CID 105123934

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol?
The IUPAC name of (4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol (CID 105131631) is (4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol?
The canonical SMILES for (4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol is COc1cccc(OC)c1C(O)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol?
The InChIKey is VMIGKPHQPBUCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O3/c1-19-11-4-3-5-12(20-2)13(11)14(18)10-6-8-15(16,17)9-7-10/h3-5,10,14,18H,6-9H2,1-2H3.
What are the key properties of (4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol?
(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol has a molecular weight of 286.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol is sourced from PubChem (CID 105131631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).