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

C14H18N2O2 — CID 54961343

IUPAC1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
SMILESCC(O)c1ccc(OCCCn2ccnc2)cc1
InChIInChI=1S/C14H18N2O2/c1-12(17)13-3-5-14(6-4-13)18-10-2-8-16-9-7-15-11-16/h3-7,9,11-12,17H,2,8,10H2,1H3
InChIKeyDACHHKKRPGNVRW-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.41
Rot. Bonds6

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

1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol (PubChem CID 54961343) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
PubChem CID54961343
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
SMILESCC(O)c1ccc(OCCCn2ccnc2)cc1
InChIInChI=1S/C14H18N2O2/c1-12(17)13-3-5-14(6-4-13)18-10-2-8-16-9-7-15-11-16/h3-7,9,11-12,17H,2,8,10H2,1H3
InChIKeyDACHHKKRPGNVRW-UHFFFAOYSA-N
XLogP2.41
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.41
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-(6-imidazol-1-ylhexoxy)phenyl]ethanol
CID 18921919
(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 63365749
1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine
CID 61494811
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol
CID 82001092
2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 104601036
1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one
CID 115495270
1-[4-(4-butoxyphenyl)sulfanylphenyl]-3-imidazol-1-ylpropan-1-ol
CID 54441622
1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole
CID 2852343
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
N'-hydroxy-4-(3-imidazol-1-ylpropoxy)benzenecarboximidamide
CID 109374420

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol?
The IUPAC name of 1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol (CID 54961343) is 1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol is CC(O)c1ccc(OCCCn2ccnc2)cc1.
What is the InChIKey of 1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol?
The InChIKey is DACHHKKRPGNVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-12(17)13-3-5-14(6-4-13)18-10-2-8-16-9-7-15-11-16/h3-7,9,11-12,17H,2,8,10H2,1H3.
What are the key properties of 1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol?
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol has a molecular weight of 246.31 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol is sourced from PubChem (CID 54961343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).