1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol

C16H16F2O3 — CID 116809791

IUPAC1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
SMILESCOc1cccc(OC)c1C(C)(O)c1cc(F)cc(F)c1
InChIInChI=1S/C16H16F2O3/c1-16(19,10-7-11(17)9-12(18)8-10)15-13(20-2)5-4-6-14(15)21-3/h4-9,19H,1-3H3
InChIKeyKAIQKQIPJYWIOR-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.24
Rot. Bonds4

About 1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol

1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol (PubChem CID 116809791) has the molecular formula C16H16F2O3 and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
PubChem CID116809791
Molecular FormulaC16H16F2O3
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
SMILESCOc1cccc(OC)c1C(C)(O)c1cc(F)cc(F)c1
InChIInChI=1S/C16H16F2O3/c1-16(19,10-7-11(17)9-12(18)8-10)15-13(20-2)5-4-6-14(15)21-3/h4-9,19H,1-3H3
InChIKeyKAIQKQIPJYWIOR-UHFFFAOYSA-N
XLogP3.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82769159
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
1-(2-fluoro-6-methoxyphenyl)-1-(5-methylthiophen-3-yl)ethanol
CID 113389290
1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62787268
1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol
CID 116542850
1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82771079
1-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanol
CID 62786600
1-(4-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 60793238
1-(3,5-difluorophenyl)-1-(2-fluorophenyl)ethanol
CID 55116357
1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol
CID 104793004
1-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)ethanol
CID 62786766
2-(1,1-difluoroethyl)-3-methoxyphenol
CID 84661311

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
The IUPAC name of 1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol (CID 116809791) is 1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
The canonical SMILES for 1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol is COc1cccc(OC)c1C(C)(O)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
The InChIKey is KAIQKQIPJYWIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O3/c1-16(19,10-7-11(17)9-12(18)8-10)15-13(20-2)5-4-6-14(15)21-3/h4-9,19H,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol has a molecular weight of 294.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol is sourced from PubChem (CID 116809791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).