4-(4-imidazol-1-ylphenoxy)butan-1-ol

C13H16N2O2 — CID 91307784

IUPAC4-(4-imidazol-1-ylphenoxy)butan-1-ol
SMILESOCCCCOc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C13H16N2O2/c16-9-1-2-10-17-13-5-3-12(4-6-13)15-8-7-14-11-15/h3-8,11,16H,1-2,9-10H2
InChIKeyKYCKSABPYBQXJN-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.02
Rot. Bonds6

About 4-(4-imidazol-1-ylphenoxy)butan-1-ol

4-(4-imidazol-1-ylphenoxy)butan-1-ol (PubChem CID 91307784) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylphenoxy)butan-1-ol.

Molecular Properties

Compound Name4-(4-imidazol-1-ylphenoxy)butan-1-ol
PubChem CID91307784
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(4-imidazol-1-ylphenoxy)butan-1-ol
SMILESOCCCCOc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C13H16N2O2/c16-9-1-2-10-17-13-5-3-12(4-6-13)15-8-7-14-11-15/h3-8,11,16H,1-2,9-10H2
InChIKeyKYCKSABPYBQXJN-UHFFFAOYSA-N
XLogP2.02
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.02
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-hex-5-enoxyphenyl)imidazole
CID 86214589
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole
CID 21193484
1-(4-prop-2-enoxyphenyl)imidazole
CID 67611559
N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide
CID 57242122
2-bromo-N-[4-(4-imidazol-1-ylphenoxy)butyl]benzamide
CID 67693712
2-(4-imidazol-1-ylphenoxy)ethyl N,N-dimethylsulfamate
CID 54128900
1-(4-fluorophenoxy)-3-(4-imidazol-1-ylphenoxy)propan-2-ol
CID 109414595
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007
5-pyridin-4-yloxypentan-1-ol
CID 46179486
7-pyridin-4-yloxyheptan-1-ol
CID 46179485
1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride
CID 67689860

Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylphenoxy)butan-1-ol?
The IUPAC name of 4-(4-imidazol-1-ylphenoxy)butan-1-ol (CID 91307784) is 4-(4-imidazol-1-ylphenoxy)butan-1-ol.
What is the SMILES notation for 4-(4-imidazol-1-ylphenoxy)butan-1-ol?
The canonical SMILES for 4-(4-imidazol-1-ylphenoxy)butan-1-ol is OCCCCOc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-(4-imidazol-1-ylphenoxy)butan-1-ol?
The InChIKey is KYCKSABPYBQXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-9-1-2-10-17-13-5-3-12(4-6-13)15-8-7-14-11-15/h3-8,11,16H,1-2,9-10H2.
What are the key properties of 4-(4-imidazol-1-ylphenoxy)butan-1-ol?
4-(4-imidazol-1-ylphenoxy)butan-1-ol has a molecular weight of 232.28 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylphenoxy)butan-1-ol is sourced from PubChem (CID 91307784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).