(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol

C13H16N2O2 — CID 66118611

IUPAC(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol
SMILESCCOc1ccc(C(O)c2cncn2C)cc1
InChIInChI=1S/C13H16N2O2/c1-3-17-11-6-4-10(5-7-11)13(16)12-8-14-9-15(12)2/h4-9,13,16H,3H2,1-2H3
InChIKeyRPGGEOAPJFIFEH-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.90
Rot. Bonds4

About (4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol

(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 66118611) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol
PubChem CID66118611
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol
SMILESCCOc1ccc(C(O)c2cncn2C)cc1
InChIInChI=1S/C13H16N2O2/c1-3-17-11-6-4-10(5-7-11)13(16)12-8-14-9-15(12)2/h4-9,13,16H,3H2,1-2H3
InChIKeyRPGGEOAPJFIFEH-UHFFFAOYSA-N
XLogP1.90
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol (CID 66118611) is (4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol is CCOc1ccc(C(O)c2cncn2C)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is RPGGEOAPJFIFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-17-11-6-4-10(5-7-11)13(16)12-8-14-9-15(12)2/h4-9,13,16H,3H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol?
(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 232.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 66118611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).