1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol

C15H18N2O — CID 66142465

IUPAC1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cncn2C2CC2)cc1
InChIInChI=1S/C15H18N2O/c1-11-2-4-12(5-3-11)8-15(18)14-9-16-10-17(14)13-6-7-13/h2-5,9-10,13,15,18H,6-8H2,1H3
InChIKeyAWYQUSWEXSCCQA-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.80
Rot. Bonds4

About 1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol

1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol (PubChem CID 66142465) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol
PubChem CID66142465
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cncn2C2CC2)cc1
InChIInChI=1S/C15H18N2O/c1-11-2-4-12(5-3-11)8-15(18)14-9-16-10-17(14)13-6-7-13/h2-5,9-10,13,15,18H,6-8H2,1H3
InChIKeyAWYQUSWEXSCCQA-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol (CID 66142465) is 1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol is Cc1ccc(CC(O)c2cncn2C2CC2)cc1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol?
The InChIKey is AWYQUSWEXSCCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-2-4-12(5-3-11)8-15(18)14-9-16-10-17(14)13-6-7-13/h2-5,9-10,13,15,18H,6-8H2,1H3.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol?
1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol has a molecular weight of 242.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 66142465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).