2-(3-cyclopropylimidazol-4-yl)-4-methoxyphenol

C13H14N2O2 — CID 127046284

IUPAC2-(3-cyclopropylimidazol-4-yl)-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2cncn2C2CC2)c1
InChIInChI=1S/C13H14N2O2/c1-17-10-4-5-13(16)11(6-10)12-7-14-8-15(12)9-2-3-9/h4-9,16H,2-3H2,1H3
InChIKeyHZBDRDBPQHGBCU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.60
Rot. Bonds3

About 2-(3-cyclopropylimidazol-4-yl)-4-methoxyphenol

2-(3-cyclopropylimidazol-4-yl)-4-methoxyphenol (PubChem CID 127046284) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(3-cyclopropylimidazol-4-yl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(3-cyclopropylimidazol-4-yl)-4-methoxyphenol
PubChem CID127046284
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(3-cyclopropylimidazol-4-yl)-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2cncn2C2CC2)c1
InChIInChI=1S/C13H14N2O2/c1-17-10-4-5-13(16)11(6-10)12-7-14-8-15(12)9-2-3-9/h4-9,16H,2-3H2,1H3
InChIKeyHZBDRDBPQHGBCU-UHFFFAOYSA-N
XLogP2.60
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-cyclopropylimidazol-4-yl)-4-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-4-methoxyphenol?
The IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-4-methoxyphenol (CID 127046284) is 2-(3-cyclopropylimidazol-4-yl)-4-methoxyphenol.
What is the SMILES notation for 2-(3-cyclopropylimidazol-4-yl)-4-methoxyphenol?
The canonical SMILES for 2-(3-cyclopropylimidazol-4-yl)-4-methoxyphenol is COc1ccc(O)c(-c2cncn2C2CC2)c1.
What is the InChIKey of 2-(3-cyclopropylimidazol-4-yl)-4-methoxyphenol?
The InChIKey is HZBDRDBPQHGBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-10-4-5-13(16)11(6-10)12-7-14-8-15(12)9-2-3-9/h4-9,16H,2-3H2,1H3.
What are the key properties of 2-(3-cyclopropylimidazol-4-yl)-4-methoxyphenol?
2-(3-cyclopropylimidazol-4-yl)-4-methoxyphenol has a molecular weight of 230.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylimidazol-4-yl)-4-methoxyphenol is sourced from PubChem (CID 127046284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).