1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol

C16H16F2O2 — CID 63895079

IUPAC1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1c(F)cccc1F
InChIInChI=1S/C16H16F2O2/c1-10-6-7-15(20-2)11(8-10)9-14(19)16-12(17)4-3-5-13(16)18/h3-8,14,19H,9H2,1-2H3
InChIKeyWDHVTOFJEWPQFZ-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.56
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol

1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 63895079) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
PubChem CID63895079
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1c(F)cccc1F
InChIInChI=1S/C16H16F2O2/c1-10-6-7-15(20-2)11(8-10)9-14(19)16-12(17)4-3-5-13(16)18/h3-8,14,19H,9H2,1-2H3
InChIKeyWDHVTOFJEWPQFZ-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65101453
1-(4-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 62160340
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-(2-bromo-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826712
1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826541
1-[2-fluoro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 43506269
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 63018085
1-(2-aminophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 64833173
2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105083651
2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115779347
2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 114981931
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 79522962

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol (CID 63895079) is 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1CC(O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is WDHVTOFJEWPQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-10-6-7-15(20-2)11(8-10)9-14(19)16-12(17)4-3-5-13(16)18/h3-8,14,19H,9H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol?
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 278.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 63895079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).