2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol

C14H18N2O2 — CID 104601036

IUPAC2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
SMILESOCCc1ccc(OCCCn2ccnc2)cc1
InChIInChI=1S/C14H18N2O2/c17-10-6-13-2-4-14(5-3-13)18-11-1-8-16-9-7-15-12-16/h2-5,7,9,12,17H,1,6,8,10-11H2
InChIKeyDFZSKWHWRIBDJO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.89
Rot. Bonds7

About 2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol

2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol (PubChem CID 104601036) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
PubChem CID104601036
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
SMILESOCCc1ccc(OCCCn2ccnc2)cc1
InChIInChI=1S/C14H18N2O2/c17-10-6-13-2-4-14(5-3-13)18-11-1-8-16-9-7-15-12-16/h2-5,7,9,12,17H,1,6,8,10-11H2
InChIKeyDFZSKWHWRIBDJO-UHFFFAOYSA-N
XLogP1.89
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one
CID 115495270
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
1-[3-[4-(azetidin-1-ylmethyl)phenoxy]propyl]imidazole
CID 77085814
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343
[5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol
CID 79794172
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
N-[2-(4-butylphenoxy)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 18349593
N'-hydroxy-4-(3-imidazol-1-ylpropoxy)benzenecarboximidamide
CID 109374420
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole
CID 67859856

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol?
The IUPAC name of 2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol (CID 104601036) is 2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol.
What is the SMILES notation for 2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol?
The canonical SMILES for 2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol is OCCc1ccc(OCCCn2ccnc2)cc1.
What is the InChIKey of 2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol?
The InChIKey is DFZSKWHWRIBDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-10-6-13-2-4-14(5-3-13)18-11-1-8-16-9-7-15-12-16/h2-5,7,9,12,17H,1,6,8,10-11H2.
What are the key properties of 2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol?
2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol has a molecular weight of 246.31 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol is sourced from PubChem (CID 104601036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).