1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol

C17H19FO2 — CID 106881196

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol
SMILESCOC(c1ccccc1)C(O)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H19FO2/c1-11-9-12(2)15(14(18)10-11)16(19)17(20-3)13-7-5-4-6-8-13/h4-10,16-17,19H,1-3H3
InChIKeyDAFVVTWWINCWHB-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.86
Rot. Bonds4

About 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol

1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol (PubChem CID 106881196) has the molecular formula C17H19FO2 and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol
PubChem CID106881196
Molecular FormulaC17H19FO2
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol
SMILESCOC(c1ccccc1)C(O)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H19FO2/c1-11-9-12(2)15(14(18)10-11)16(19)17(20-3)13-7-5-4-6-8-13/h4-10,16-17,19H,1-3H3
InChIKeyDAFVVTWWINCWHB-UHFFFAOYSA-N
XLogP3.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-2-phenylethanol
CID 106680320
1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol
CID 116756883
1-(2,4-dimethylphenyl)-2-methoxy-2-phenylethanol
CID 116756761
1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol
CID 116756981
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone
CID 106880956
3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116757000
(2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 106880297
3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756862
1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol
CID 106884071
(2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol
CID 106884084
1-methoxy-1-phenylbutan-2-ol
CID 116756893
1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine
CID 116772917

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol (CID 106881196) is 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol is COC(c1ccccc1)C(O)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol?
The InChIKey is DAFVVTWWINCWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c1-11-9-12(2)15(14(18)10-11)16(19)17(20-3)13-7-5-4-6-8-13/h4-10,16-17,19H,1-3H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol?
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol has a molecular weight of 274.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol is sourced from PubChem (CID 106881196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).