(2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol

C16H22F2O2 — CID 116754388

IUPAC(2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol
SMILESCOC1(C(O)c2c(F)ccc(C)c2F)CCC(C)CC1
InChIInChI=1S/C16H22F2O2/c1-10-6-8-16(20-3,9-7-10)15(19)13-12(17)5-4-11(2)14(13)18/h4-5,10,15,19H,6-9H2,1-3H3
InChIKeyQYQJWQQMWYCJHH-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.90
Rot. Bonds3

About (2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol

(2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol (PubChem CID 116754388) has the molecular formula C16H22F2O2 and a molecular weight of 284.35 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol
PubChem CID116754388
Molecular FormulaC16H22F2O2
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol
SMILESCOC1(C(O)c2c(F)ccc(C)c2F)CCC(C)CC1
InChIInChI=1S/C16H22F2O2/c1-10-6-8-16(20-3,9-7-10)15(19)13-12(17)5-4-11(2)14(13)18/h4-5,10,15,19H,6-9H2,1-3H3
InChIKeyQYQJWQQMWYCJHH-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754393
(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754621
(2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 107513888
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 105373589
2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754421
1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766499
(1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol
CID 116754442
2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 114931718
2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 103039723
[(2,6-difluoro-3-methylphenyl)-(1-methoxycyclobutyl)methyl]hydrazine
CID 105270270
2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol
CID 116756278
(3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol
CID 107128604

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol (CID 116754388) is (2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol is COC1(C(O)c2c(F)ccc(C)c2F)CCC(C)CC1.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol?
The InChIKey is QYQJWQQMWYCJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O2/c1-10-6-8-16(20-3,9-7-10)15(19)13-12(17)5-4-11(2)14(13)18/h4-5,10,15,19H,6-9H2,1-3H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol?
(2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol has a molecular weight of 284.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol is sourced from PubChem (CID 116754388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).