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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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).