[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol

C11H14F2O3 — CID 84695385

IUPAC[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol
SMILESCOc1cc(CO)c(C(C)(F)F)cc1OC
InChIInChI=1S/C11H14F2O3/c1-11(12,13)8-5-10(16-3)9(15-2)4-7(8)6-14/h4-5,14H,6H2,1-3H3
InChIKeyVHBGCCPKKGBTAS-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.31
Rot. Bonds4

About [2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol

[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol (PubChem CID 84695385) has the molecular formula C11H14F2O3 and a molecular weight of 232.23 g/mol. Its IUPAC name is [2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol.

Molecular Properties

Compound Name[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol
PubChem CID84695385
Molecular FormulaC11H14F2O3
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol
SMILESCOc1cc(CO)c(C(C)(F)F)cc1OC
InChIInChI=1S/C11H14F2O3/c1-11(12,13)8-5-10(16-3)9(15-2)4-7(8)6-14/h4-5,14H,6H2,1-3H3
InChIKeyVHBGCCPKKGBTAS-UHFFFAOYSA-N
XLogP2.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117369713
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820
(2-ethyl-4,5-dimethoxyphenyl)methanol
CID 14094580
(2-ethenyl-4,5-dimethoxyphenyl)methanol
CID 121218143
[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol
CID 84693364
2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol
CID 105424355
3-amino-1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]propan-1-one
CID 117435409
[2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]selanyl-4,5-dimethoxyphenyl]methanol
CID 132556150
1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117435412
N-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]ethyl]formamide
CID 162579355
O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117380356
ethyl 2-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetate
CID 117489497

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol?
The IUPAC name of [2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol (CID 84695385) is [2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol.
What is the SMILES notation for [2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol?
The canonical SMILES for [2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol is COc1cc(CO)c(C(C)(F)F)cc1OC.
What is the InChIKey of [2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol?
The InChIKey is VHBGCCPKKGBTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O3/c1-11(12,13)8-5-10(16-3)9(15-2)4-7(8)6-14/h4-5,14H,6H2,1-3H3.
What are the key properties of [2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol?
[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol has a molecular weight of 232.23 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol is sourced from PubChem (CID 84695385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).