4-(2-cyclopropyl-1-methylimidazol-4-yl)phenol

C13H14N2O — CID 168993352

IUPAC4-(2-cyclopropyl-1-methylimidazol-4-yl)phenol
SMILESCn1cc(-c2ccc(O)cc2)nc1C1CC1
InChIInChI=1S/C13H14N2O/c1-15-8-12(14-13(15)10-2-3-10)9-4-6-11(16)7-5-9/h4-8,10,16H,2-3H2,1H3
InChIKeyKKXKUMPLBACKOA-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.67
Rot. Bonds2

About 4-(2-cyclopropyl-1-methylimidazol-4-yl)phenol

4-(2-cyclopropyl-1-methylimidazol-4-yl)phenol (PubChem CID 168993352) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1-methylimidazol-4-yl)phenol.

Molecular Properties

Compound Name4-(2-cyclopropyl-1-methylimidazol-4-yl)phenol
PubChem CID168993352
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-(2-cyclopropyl-1-methylimidazol-4-yl)phenol
SMILESCn1cc(-c2ccc(O)cc2)nc1C1CC1
InChIInChI=1S/C13H14N2O/c1-15-8-12(14-13(15)10-2-3-10)9-4-6-11(16)7-5-9/h4-8,10,16H,2-3H2,1H3
InChIKeyKKXKUMPLBACKOA-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1-methylimidazol-4-yl)phenol?
The IUPAC name of 4-(2-cyclopropyl-1-methylimidazol-4-yl)phenol (CID 168993352) is 4-(2-cyclopropyl-1-methylimidazol-4-yl)phenol.
What is the SMILES notation for 4-(2-cyclopropyl-1-methylimidazol-4-yl)phenol?
The canonical SMILES for 4-(2-cyclopropyl-1-methylimidazol-4-yl)phenol is Cn1cc(-c2ccc(O)cc2)nc1C1CC1.
What is the InChIKey of 4-(2-cyclopropyl-1-methylimidazol-4-yl)phenol?
The InChIKey is KKXKUMPLBACKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-15-8-12(14-13(15)10-2-3-10)9-4-6-11(16)7-5-9/h4-8,10,16H,2-3H2,1H3.
What are the key properties of 4-(2-cyclopropyl-1-methylimidazol-4-yl)phenol?
4-(2-cyclopropyl-1-methylimidazol-4-yl)phenol has a molecular weight of 214.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1-methylimidazol-4-yl)phenol is sourced from PubChem (CID 168993352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).