4-methoxy-2-(3-propylimidazol-4-yl)phenol

C13H16N2O2 — CID 127046780

IUPAC4-methoxy-2-(3-propylimidazol-4-yl)phenol
SMILESCCCn1cncc1-c1cc(OC)ccc1O
InChIInChI=1S/C13H16N2O2/c1-3-6-15-9-14-8-12(15)11-7-10(17-2)4-5-13(11)16/h4-5,7-9,16H,3,6H2,1-2H3
InChIKeyNRFUJUWYZVXOGH-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.67
Rot. Bonds4

About 4-methoxy-2-(3-propylimidazol-4-yl)phenol

4-methoxy-2-(3-propylimidazol-4-yl)phenol (PubChem CID 127046780) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-methoxy-2-(3-propylimidazol-4-yl)phenol.

Molecular Properties

Compound Name4-methoxy-2-(3-propylimidazol-4-yl)phenol
PubChem CID127046780
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-methoxy-2-(3-propylimidazol-4-yl)phenol
SMILESCCCn1cncc1-c1cc(OC)ccc1O
InChIInChI=1S/C13H16N2O2/c1-3-6-15-9-14-8-12(15)11-7-10(17-2)4-5-13(11)16/h4-5,7-9,16H,3,6H2,1-2H3
InChIKeyNRFUJUWYZVXOGH-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(3-propylimidazol-4-yl)phenol?
The IUPAC name of 4-methoxy-2-(3-propylimidazol-4-yl)phenol (CID 127046780) is 4-methoxy-2-(3-propylimidazol-4-yl)phenol.
What is the SMILES notation for 4-methoxy-2-(3-propylimidazol-4-yl)phenol?
The canonical SMILES for 4-methoxy-2-(3-propylimidazol-4-yl)phenol is CCCn1cncc1-c1cc(OC)ccc1O.
What is the InChIKey of 4-methoxy-2-(3-propylimidazol-4-yl)phenol?
The InChIKey is NRFUJUWYZVXOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-6-15-9-14-8-12(15)11-7-10(17-2)4-5-13(11)16/h4-5,7-9,16H,3,6H2,1-2H3.
What are the key properties of 4-methoxy-2-(3-propylimidazol-4-yl)phenol?
4-methoxy-2-(3-propylimidazol-4-yl)phenol has a molecular weight of 232.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(3-propylimidazol-4-yl)phenol is sourced from PubChem (CID 127046780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).