1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol

C13H15FN2O2 — CID 110902796

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol
SMILESCOc1ccc(C(O)Cn2ccnc2C)cc1F
InChIInChI=1S/C13H15FN2O2/c1-9-15-5-6-16(9)8-12(17)10-3-4-13(18-2)11(14)7-10/h3-7,12,17H,8H2,1-2H3
InChIKeyFFZDSKVFYMHAEO-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.07
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol

1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol (PubChem CID 110902796) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol
PubChem CID110902796
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol
SMILESCOc1ccc(C(O)Cn2ccnc2C)cc1F
InChIInChI=1S/C13H15FN2O2/c1-9-15-5-6-16(9)8-12(17)10-3-4-13(18-2)11(14)7-10/h3-7,12,17H,8H2,1-2H3
InChIKeyFFZDSKVFYMHAEO-UHFFFAOYSA-N
XLogP2.07
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-2-(2-methylimidazol-1-yl)ethanol
CID 110898736
2-(2-ethylimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
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2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
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3-fluoro-4-methoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
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1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
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[2-(1-ethylimidazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol (CID 110902796) is 1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol is COc1ccc(C(O)Cn2ccnc2C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol?
The InChIKey is FFZDSKVFYMHAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-9-15-5-6-16(9)8-12(17)10-3-4-13(18-2)11(14)7-10/h3-7,12,17H,8H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol?
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol has a molecular weight of 250.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol is sourced from PubChem (CID 110902796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).