1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol

C17H24N2O2 — CID 18921919

IUPAC1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
SMILESCC(O)c1ccc(OCCCCCCn2ccnc2)cc1
InChIInChI=1S/C17H24N2O2/c1-15(20)16-6-8-17(9-7-16)21-13-5-3-2-4-11-19-12-10-18-14-19/h6-10,12,14-15,20H,2-5,11,13H2,1H3
InChIKeyHNUVIDFKXXBKBZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.58
Rot. Bonds9

About 1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol

1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol (PubChem CID 18921919) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
PubChem CID18921919
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
SMILESCC(O)c1ccc(OCCCCCCn2ccnc2)cc1
InChIInChI=1S/C17H24N2O2/c1-15(20)16-6-8-17(9-7-16)21-13-5-3-2-4-11-19-12-10-18-14-19/h6-10,12,14-15,20H,2-5,11,13H2,1H3
InChIKeyHNUVIDFKXXBKBZ-UHFFFAOYSA-N
XLogP3.58
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.58
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]ethanol
CID 54961343
(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 63365749
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
1-[6-[4-(2-phenylethynyl)phenoxy]hexyl]imidazole
CID 101469157
1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine
CID 61494811
1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one
CID 115495270
1-[10-(4-nitrophenoxy)decyl]imidazole
CID 13219131
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol
CID 82001092
1-[2-(4-chlorophenoxy)ethylamino]-5-imidazol-1-ylpentan-1-ol;dihydrochloride
CID 70213779
1-[4-(4-butoxyphenyl)sulfanylphenyl]-3-imidazol-1-ylpropan-1-ol
CID 54441622

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol?
The IUPAC name of 1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol (CID 18921919) is 1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol is CC(O)c1ccc(OCCCCCCn2ccnc2)cc1.
What is the InChIKey of 1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol?
The InChIKey is HNUVIDFKXXBKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-15(20)16-6-8-17(9-7-16)21-13-5-3-2-4-11-19-12-10-18-14-19/h6-10,12,14-15,20H,2-5,11,13H2,1H3.
What are the key properties of 1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol?
1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol has a molecular weight of 288.39 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol is sourced from PubChem (CID 18921919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).