2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol

C17H18F2O2 — CID 106682618

IUPAC2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
SMILESCOc1cc(C)cc(C)c1C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2O2/c1-10-6-11(2)17(16(7-10)21-3)15(20)9-12-4-5-13(18)14(19)8-12/h4-8,15,20H,9H2,1-3H3
InChIKeyYRDQYBJLUMMNSI-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.87
Rot. Bonds4

About 2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol

2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol (PubChem CID 106682618) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
PubChem CID106682618
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
SMILESCOc1cc(C)cc(C)c1C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2O2/c1-10-6-11(2)17(16(7-10)21-3)15(20)9-12-4-5-13(18)14(19)8-12/h4-8,15,20H,9H2,1-3H3
InChIKeyYRDQYBJLUMMNSI-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 106680174
1-(2-fluoro-4,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106881014
2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 107883521
3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 106680156
1-(2-methoxy-4,6-dimethylphenyl)-2-pyridin-2-ylethanol
CID 106680148
(4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679789
2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63893918
(2-fluoro-6-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680256
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol
CID 115484531
1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106682653
1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 106680177
1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol
CID 106680167

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol (CID 106682618) is 2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol is COc1cc(C)cc(C)c1C(O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol?
The InChIKey is YRDQYBJLUMMNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-10-6-11(2)17(16(7-10)21-3)15(20)9-12-4-5-13(18)14(19)8-12/h4-8,15,20H,9H2,1-3H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol?
2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol has a molecular weight of 292.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol is sourced from PubChem (CID 106682618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).