4-hydroxy-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one

C16H20N2O3 — CID 21193525

IUPAC4-hydroxy-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one
SMILESO=C(CCCO)c1ccc(OCCCc2cnc[nH]2)cc1
InChIInChI=1S/C16H20N2O3/c19-9-1-4-16(20)13-5-7-15(8-6-13)21-10-2-3-14-11-17-12-18-14/h5-8,11-12,19H,1-4,9-10H2,(H,17,18)
InChIKeyKQJATLJCPMATTG-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.38
Rot. Bonds9

About 4-hydroxy-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one

4-hydroxy-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one (PubChem CID 21193525) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-hydroxy-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one
PubChem CID21193525
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-hydroxy-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one
SMILESO=C(CCCO)c1ccc(OCCCc2cnc[nH]2)cc1
InChIInChI=1S/C16H20N2O3/c19-9-1-4-16(20)13-5-7-15(8-6-13)21-10-2-3-14-11-17-12-18-14/h5-8,11-12,19H,1-4,9-10H2,(H,17,18)
InChIKeyKQJATLJCPMATTG-UHFFFAOYSA-N
XLogP2.38
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one?
The IUPAC name of 4-hydroxy-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one (CID 21193525) is 4-hydroxy-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one.
What is the SMILES notation for 4-hydroxy-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one?
The canonical SMILES for 4-hydroxy-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one is O=C(CCCO)c1ccc(OCCCc2cnc[nH]2)cc1.
What is the InChIKey of 4-hydroxy-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one?
The InChIKey is KQJATLJCPMATTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-9-1-4-16(20)13-5-7-15(8-6-13)21-10-2-3-14-11-17-12-18-14/h5-8,11-12,19H,1-4,9-10H2,(H,17,18).
What are the key properties of 4-hydroxy-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one?
4-hydroxy-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one has a molecular weight of 288.35 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one is sourced from PubChem (CID 21193525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).