[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol

C11H11FN2O — CID 91758264

IUPAC[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol
SMILESCc1cn(-c2ccc(CO)cc2F)cn1
InChIInChI=1S/C11H11FN2O/c1-8-5-14(7-13-8)11-3-2-9(6-15)4-10(11)12/h2-5,7,15H,6H2,1H3
InChIKeyTVGKGYYAYHCSEL-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.81
Rot. Bonds2

About [3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol

[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol (PubChem CID 91758264) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is [3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol
PubChem CID91758264
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol
SMILESCc1cn(-c2ccc(CO)cc2F)cn1
InChIInChI=1S/C11H11FN2O/c1-8-5-14(7-13-8)11-3-2-9(6-15)4-10(11)12/h2-5,7,15H,6H2,1H3
InChIKeyTVGKGYYAYHCSEL-UHFFFAOYSA-N
XLogP1.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol?
The IUPAC name of [3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol (CID 91758264) is [3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol?
The canonical SMILES for [3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol is Cc1cn(-c2ccc(CO)cc2F)cn1.
What is the InChIKey of [3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol?
The InChIKey is TVGKGYYAYHCSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-8-5-14(7-13-8)11-3-2-9(6-15)4-10(11)12/h2-5,7,15H,6H2,1H3.
What are the key properties of [3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol?
[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol has a molecular weight of 206.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol is sourced from PubChem (CID 91758264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).