2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol

C16H16F2O4 — CID 110907757

IUPAC2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(O)COc2ccc(F)cc2F)c1
InChIInChI=1S/C16H16F2O4/c1-20-11-4-6-15(21-2)12(8-11)14(19)9-22-16-5-3-10(17)7-13(16)18/h3-8,14,19H,9H2,1-2H3
InChIKeyRRHISBFUAPVSDF-UHFFFAOYSA-N
MW310.30 g/mol
LogP3.09
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol

2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol (PubChem CID 110907757) has the molecular formula C16H16F2O4 and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol
PubChem CID110907757
Molecular FormulaC16H16F2O4
Molecular Weight310.30 g/mol
Exact Mass310.10
IUPAC Name2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(O)COc2ccc(F)cc2F)c1
InChIInChI=1S/C16H16F2O4/c1-20-11-4-6-15(21-2)12(8-11)14(19)9-22-16-5-3-10(17)7-13(16)18/h3-8,14,19H,9H2,1-2H3
InChIKeyRRHISBFUAPVSDF-UHFFFAOYSA-N
XLogP3.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol
CID 78871605
1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol
CID 110897338
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
(2S,3R)-3-[(2,4-difluorophenoxy)methyl]-4-(4-methoxyphenyl)butan-2-ol
CID 121455314
1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol
CID 109415013
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
1-(2,4-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412665
1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol
CID 106448693
2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone
CID 78790506
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol
CID 79699012
1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol
CID 110885135

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol (CID 110907757) is 2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol is COc1ccc(OC)c(C(O)COc2ccc(F)cc2F)c1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol?
The InChIKey is RRHISBFUAPVSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O4/c1-20-11-4-6-15(21-2)12(8-11)14(19)9-22-16-5-3-10(17)7-13(16)18/h3-8,14,19H,9H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol?
2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol has a molecular weight of 310.30 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 110907757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).