1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol

C16H16F2O4 — CID 109415013

IUPAC1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol
SMILESCOc1cc(OC)cc(OCC(O)c2cc(F)ccc2F)c1
InChIInChI=1S/C16H16F2O4/c1-20-11-6-12(21-2)8-13(7-11)22-9-16(19)14-5-10(17)3-4-15(14)18/h3-8,16,19H,9H2,1-2H3
InChIKeyKXLSDLMIKWVOSV-UHFFFAOYSA-N
MW310.30 g/mol
LogP3.09
Rot. Bonds6

About 1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol

1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol (PubChem CID 109415013) has the molecular formula C16H16F2O4 and a molecular weight of 310.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol
PubChem CID109415013
Molecular FormulaC16H16F2O4
Molecular Weight310.30 g/mol
Exact Mass310.10
IUPAC Name1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol
SMILESCOc1cc(OC)cc(OCC(O)c2cc(F)ccc2F)c1
InChIInChI=1S/C16H16F2O4/c1-20-11-6-12(21-2)8-13(7-11)22-9-16(19)14-5-10(17)3-4-15(14)18/h3-8,16,19H,9H2,1-2H3
InChIKeyKXLSDLMIKWVOSV-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

2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol
CID 109414944
(2,5-difluorophenyl)-(3,5-dimethoxyphenyl)methanol
CID 61100108
1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one
CID 109413353
1-(2,5-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412674
1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 109416332
2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 110907757
1-(2,5-difluorophenyl)-2-(2-methoxy-4-nitrophenoxy)ethanol
CID 109415751
2-(3,5-difluorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 62783768
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 63894517
2-(3-fluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885745
1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol
CID 109412945

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol (CID 109415013) is 1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol is COc1cc(OC)cc(OCC(O)c2cc(F)ccc2F)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol?
The InChIKey is KXLSDLMIKWVOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O4/c1-20-11-6-12(21-2)8-13(7-11)22-9-16(19)14-5-10(17)3-4-15(14)18/h3-8,16,19H,9H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol?
1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)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 1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol is sourced from PubChem (CID 109415013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).