2-[4-(hydroxymethyl)imidazol-1-yl]-2-phenylethanol

C12H14N2O2 — CID 24825634

IUPAC2-[4-(hydroxymethyl)imidazol-1-yl]-2-phenylethanol
SMILESOCc1cn(C(CO)c2ccccc2)cn1
InChIInChI=1S/C12H14N2O2/c15-7-11-6-14(9-13-11)12(8-16)10-4-2-1-3-5-10/h1-6,9,12,15-16H,7-8H2
InChIKeyUDSFQNUEBVICJU-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.96
Rot. Bonds4

About 2-[4-(hydroxymethyl)imidazol-1-yl]-2-phenylethanol

2-[4-(hydroxymethyl)imidazol-1-yl]-2-phenylethanol (PubChem CID 24825634) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)imidazol-1-yl]-2-phenylethanol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)imidazol-1-yl]-2-phenylethanol
PubChem CID24825634
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[4-(hydroxymethyl)imidazol-1-yl]-2-phenylethanol
SMILESOCc1cn(C(CO)c2ccccc2)cn1
InChIInChI=1S/C12H14N2O2/c15-7-11-6-14(9-13-11)12(8-16)10-4-2-1-3-5-10/h1-6,9,12,15-16H,7-8H2
InChIKeyUDSFQNUEBVICJU-UHFFFAOYSA-N
XLogP0.96
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)imidazol-1-yl]-2-phenylethanol?
The IUPAC name of 2-[4-(hydroxymethyl)imidazol-1-yl]-2-phenylethanol (CID 24825634) is 2-[4-(hydroxymethyl)imidazol-1-yl]-2-phenylethanol.
What is the SMILES notation for 2-[4-(hydroxymethyl)imidazol-1-yl]-2-phenylethanol?
The canonical SMILES for 2-[4-(hydroxymethyl)imidazol-1-yl]-2-phenylethanol is OCc1cn(C(CO)c2ccccc2)cn1.
What is the InChIKey of 2-[4-(hydroxymethyl)imidazol-1-yl]-2-phenylethanol?
The InChIKey is UDSFQNUEBVICJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-7-11-6-14(9-13-11)12(8-16)10-4-2-1-3-5-10/h1-6,9,12,15-16H,7-8H2.
What are the key properties of 2-[4-(hydroxymethyl)imidazol-1-yl]-2-phenylethanol?
2-[4-(hydroxymethyl)imidazol-1-yl]-2-phenylethanol has a molecular weight of 218.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)imidazol-1-yl]-2-phenylethanol is sourced from PubChem (CID 24825634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).