1-(2,4-difluorophenyl)-2-(3-imidazol-1-ylphenoxy)ethanol

C17H14F2N2O2 — CID 109416581

IUPAC1-(2,4-difluorophenyl)-2-(3-imidazol-1-ylphenoxy)ethanol
SMILESOC(COc1cccc(-n2ccnc2)c1)c1ccc(F)cc1F
InChIInChI=1S/C17H14F2N2O2/c18-12-4-5-15(16(19)8-12)17(22)10-23-14-3-1-2-13(9-14)21-7-6-20-11-21/h1-9,11,17,22H,10H2
InChIKeyHRQAMGWWCHCINQ-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.26
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-(3-imidazol-1-ylphenoxy)ethanol

1-(2,4-difluorophenyl)-2-(3-imidazol-1-ylphenoxy)ethanol (PubChem CID 109416581) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(3-imidazol-1-ylphenoxy)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(3-imidazol-1-ylphenoxy)ethanol
PubChem CID109416581
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name1-(2,4-difluorophenyl)-2-(3-imidazol-1-ylphenoxy)ethanol
SMILESOC(COc1cccc(-n2ccnc2)c1)c1ccc(F)cc1F
InChIInChI=1S/C17H14F2N2O2/c18-12-4-5-15(16(19)8-12)17(22)10-23-14-3-1-2-13(9-14)21-7-6-20-11-21/h1-9,11,17,22H,10H2
InChIKeyHRQAMGWWCHCINQ-UHFFFAOYSA-N
XLogP3.26
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(3-imidazol-1-ylphenoxy)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(3-imidazol-1-ylphenoxy)ethanol (CID 109416581) is 1-(2,4-difluorophenyl)-2-(3-imidazol-1-ylphenoxy)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(3-imidazol-1-ylphenoxy)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(3-imidazol-1-ylphenoxy)ethanol is OC(COc1cccc(-n2ccnc2)c1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(3-imidazol-1-ylphenoxy)ethanol?
The InChIKey is HRQAMGWWCHCINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c18-12-4-5-15(16(19)8-12)17(22)10-23-14-3-1-2-13(9-14)21-7-6-20-11-21/h1-9,11,17,22H,10H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(3-imidazol-1-ylphenoxy)ethanol?
1-(2,4-difluorophenyl)-2-(3-imidazol-1-ylphenoxy)ethanol has a molecular weight of 316.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(3-imidazol-1-ylphenoxy)ethanol is sourced from PubChem (CID 109416581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).