1-(2-methylimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol

C14H18N2O2 — CID 2884282

IUPAC1-(2-methylimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)Cn2ccnc2C)c1
InChIInChI=1S/C14H18N2O2/c1-11-4-3-5-14(8-11)18-10-13(17)9-16-7-6-15-12(16)2/h3-8,13,17H,9-10H2,1-2H3
InChIKeyVQPWOYBOPXVVDI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.94
Rot. Bonds5

About 1-(2-methylimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol

1-(2-methylimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol (PubChem CID 2884282) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2-methylimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol
PubChem CID2884282
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(2-methylimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)Cn2ccnc2C)c1
InChIInChI=1S/C14H18N2O2/c1-11-4-3-5-14(8-11)18-10-13(17)9-16-7-6-15-12(16)2/h3-8,13,17H,9-10H2,1-2H3
InChIKeyVQPWOYBOPXVVDI-UHFFFAOYSA-N
XLogP1.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(2-methylimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol (CID 2884282) is 1-(2-methylimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-methylimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-methylimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)Cn2ccnc2C)c1.
What is the InChIKey of 1-(2-methylimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is VQPWOYBOPXVVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-4-3-5-14(8-11)18-10-13(17)9-16-7-6-15-12(16)2/h3-8,13,17H,9-10H2,1-2H3.
What are the key properties of 1-(2-methylimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol?
1-(2-methylimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 246.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 2884282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).