1-[3-(2-methylimidazol-1-yl)phenyl]ethanol

C12H14N2O — CID 117290921

IUPAC1-[3-(2-methylimidazol-1-yl)phenyl]ethanol
SMILESCc1nccn1-c1cccc(C(C)O)c1
InChIInChI=1S/C12H14N2O/c1-9(15)11-4-3-5-12(8-11)14-7-6-13-10(14)2/h3-9,15H,1-2H3
InChIKeyLFVVTLUBUPSGNI-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.23
Rot. Bonds2

About 1-[3-(2-methylimidazol-1-yl)phenyl]ethanol

1-[3-(2-methylimidazol-1-yl)phenyl]ethanol (PubChem CID 117290921) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[3-(2-methylimidazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(2-methylimidazol-1-yl)phenyl]ethanol
PubChem CID117290921
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-[3-(2-methylimidazol-1-yl)phenyl]ethanol
SMILESCc1nccn1-c1cccc(C(C)O)c1
InChIInChI=1S/C12H14N2O/c1-9(15)11-4-3-5-12(8-11)14-7-6-13-10(14)2/h3-9,15H,1-2H3
InChIKeyLFVVTLUBUPSGNI-UHFFFAOYSA-N
XLogP2.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylimidazol-1-yl)phenyl]ethanol?
The IUPAC name of 1-[3-(2-methylimidazol-1-yl)phenyl]ethanol (CID 117290921) is 1-[3-(2-methylimidazol-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-(2-methylimidazol-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-(2-methylimidazol-1-yl)phenyl]ethanol is Cc1nccn1-c1cccc(C(C)O)c1.
What is the InChIKey of 1-[3-(2-methylimidazol-1-yl)phenyl]ethanol?
The InChIKey is LFVVTLUBUPSGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9(15)11-4-3-5-12(8-11)14-7-6-13-10(14)2/h3-9,15H,1-2H3.
What are the key properties of 1-[3-(2-methylimidazol-1-yl)phenyl]ethanol?
1-[3-(2-methylimidazol-1-yl)phenyl]ethanol has a molecular weight of 202.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylimidazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 117290921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).