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

C15H18N2O2 — CID 115495270

IUPAC1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCCCn2ccnc2)cc1
InChIInChI=1S/C15H18N2O2/c1-13(18)11-14-3-5-15(6-4-14)19-10-2-8-17-9-7-16-12-17/h3-7,9,12H,2,8,10-11H2,1H3
InChIKeyKOQOHRMNGIXIPG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.48
Rot. Bonds7

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

1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one (PubChem CID 115495270) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one
PubChem CID115495270
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCCCn2ccnc2)cc1
InChIInChI=1S/C15H18N2O2/c1-13(18)11-14-3-5-15(6-4-14)19-10-2-8-17-9-7-16-12-17/h3-7,9,12H,2,8,10-11H2,1H3
InChIKeyKOQOHRMNGIXIPG-UHFFFAOYSA-N
XLogP2.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 104601036
dimethyl (Z)-2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3-propan-2-ylbut-2-enedioate
CID 66648818
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
1-[3-[4-(azetidin-1-ylmethyl)phenoxy]propyl]imidazole
CID 77085814
1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
CID 18921919
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone
CID 18518429
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone
CID 82001062
ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane
CID 164877712

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one?
The IUPAC name of 1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one (CID 115495270) is 1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one is CC(=O)Cc1ccc(OCCCn2ccnc2)cc1.
What is the InChIKey of 1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one?
The InChIKey is KOQOHRMNGIXIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-13(18)11-14-3-5-15(6-4-14)19-10-2-8-17-9-7-16-12-17/h3-7,9,12H,2,8,10-11H2,1H3.
What are the key properties of 1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one?
1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one is sourced from PubChem (CID 115495270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).