2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol

C12H16F2O4 — CID 82007414

IUPAC2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)COCC(F)F)c(OC)c1
InChIInChI=1S/C12H16F2O4/c1-16-8-3-4-9(11(5-8)17-2)10(15)6-18-7-12(13)14/h3-5,10,12,15H,6-7H2,1-2H3
InChIKeyHLOQECNKHKKDHA-UHFFFAOYSA-N
MW262.25 g/mol
LogP2.02
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol

2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol (PubChem CID 82007414) has the molecular formula C12H16F2O4 and a molecular weight of 262.25 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol
PubChem CID82007414
Molecular FormulaC12H16F2O4
Molecular Weight262.25 g/mol
Exact Mass262.10
IUPAC Name2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)COCC(F)F)c(OC)c1
InChIInChI=1S/C12H16F2O4/c1-16-8-3-4-9(11(5-8)17-2)10(15)6-18-7-12(13)14/h3-5,10,12,15H,6-7H2,1-2H3
InChIKeyHLOQECNKHKKDHA-UHFFFAOYSA-N
XLogP2.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001163
1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816972
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65131405
1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol
CID 105095984
1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927728
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
1-(2,4-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65150825

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol (CID 82007414) is 2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol is COc1ccc(C(O)COCC(F)F)c(OC)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol?
The InChIKey is HLOQECNKHKKDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O4/c1-16-8-3-4-9(11(5-8)17-2)10(15)6-18-7-12(13)14/h3-5,10,12,15H,6-7H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol?
2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol has a molecular weight of 262.25 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 82007414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).