4-[fluoro-(1-methylimidazol-2-yl)methyl]phenol

C11H11FN2O — CID 83855826

IUPAC4-[fluoro-(1-methylimidazol-2-yl)methyl]phenol
SMILESCn1ccnc1C(F)c1ccc(O)cc1
InChIInChI=1S/C11H11FN2O/c1-14-7-6-13-11(14)10(12)8-2-4-9(15)5-3-8/h2-7,10,15H,1H3
InChIKeyGFXMCJHPFMLVAK-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.18
Rot. Bonds2

About 4-[fluoro-(1-methylimidazol-2-yl)methyl]phenol

4-[fluoro-(1-methylimidazol-2-yl)methyl]phenol (PubChem CID 83855826) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-[fluoro-(1-methylimidazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[fluoro-(1-methylimidazol-2-yl)methyl]phenol
PubChem CID83855826
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name4-[fluoro-(1-methylimidazol-2-yl)methyl]phenol
SMILESCn1ccnc1C(F)c1ccc(O)cc1
InChIInChI=1S/C11H11FN2O/c1-14-7-6-13-11(14)10(12)8-2-4-9(15)5-3-8/h2-7,10,15H,1H3
InChIKeyGFXMCJHPFMLVAK-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[fluoro-(1-methylimidazol-2-yl)methyl]phenol?
The IUPAC name of 4-[fluoro-(1-methylimidazol-2-yl)methyl]phenol (CID 83855826) is 4-[fluoro-(1-methylimidazol-2-yl)methyl]phenol.
What is the SMILES notation for 4-[fluoro-(1-methylimidazol-2-yl)methyl]phenol?
The canonical SMILES for 4-[fluoro-(1-methylimidazol-2-yl)methyl]phenol is Cn1ccnc1C(F)c1ccc(O)cc1.
What is the InChIKey of 4-[fluoro-(1-methylimidazol-2-yl)methyl]phenol?
The InChIKey is GFXMCJHPFMLVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-14-7-6-13-11(14)10(12)8-2-4-9(15)5-3-8/h2-7,10,15H,1H3.
What are the key properties of 4-[fluoro-(1-methylimidazol-2-yl)methyl]phenol?
4-[fluoro-(1-methylimidazol-2-yl)methyl]phenol has a molecular weight of 206.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro-(1-methylimidazol-2-yl)methyl]phenol is sourced from PubChem (CID 83855826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).