4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol

C14H18F2O2 — CID 82820329

IUPAC4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol
SMILESCc1ccc(F)c(C2(O)CC(C)OC(C)C2)c1F
InChIInChI=1S/C14H18F2O2/c1-8-4-5-11(15)12(13(8)16)14(17)6-9(2)18-10(3)7-14/h4-5,9-10,17H,6-7H2,1-3H3
InChIKeyURCXSSFOWVBRPZ-UHFFFAOYSA-N
MW256.29 g/mol
LogP3.05
Rot. Bonds1

About 4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol

4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol (PubChem CID 82820329) has the molecular formula C14H18F2O2 and a molecular weight of 256.29 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol
PubChem CID82820329
Molecular FormulaC14H18F2O2
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Name4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol
SMILESCc1ccc(F)c(C2(O)CC(C)OC(C)C2)c1F
InChIInChI=1S/C14H18F2O2/c1-8-4-5-11(15)12(13(8)16)14(17)6-9(2)18-10(3)7-14/h4-5,9-10,17H,6-7H2,1-3H3
InChIKeyURCXSSFOWVBRPZ-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol
CID 82820086
1-(2,6-difluoro-3-methylphenyl)-2-methylcyclopropan-1-ol
CID 82815611
4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol
CID 82819297
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol
CID 82808469
1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 117289591
4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol
CID 104737699
1-(2,6-difluoro-3-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 82803679
3-(2,3,6-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962539
1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 82820255
3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol
CID 107089749
1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine
CID 82820099
8-oxo-3-(2,3,6-trifluorophenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171962547

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol?
The IUPAC name of 4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol (CID 82820329) is 4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol.
What is the SMILES notation for 4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol?
The canonical SMILES for 4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol is Cc1ccc(F)c(C2(O)CC(C)OC(C)C2)c1F.
What is the InChIKey of 4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol?
The InChIKey is URCXSSFOWVBRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O2/c1-8-4-5-11(15)12(13(8)16)14(17)6-9(2)18-10(3)7-14/h4-5,9-10,17H,6-7H2,1-3H3.
What are the key properties of 4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol?
4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol has a molecular weight of 256.29 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol is sourced from PubChem (CID 82820329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).