1-imidazol-1-yl-3-phenoxypropan-1-one

C12H12N2O2 — CID 82113731

IUPAC1-imidazol-1-yl-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)n1ccnc1
InChIInChI=1S/C12H12N2O2/c15-12(14-8-7-13-10-14)6-9-16-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2
InChIKeyPRRUCUSSJGPNQO-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.99
Rot. Bonds4

About 1-imidazol-1-yl-3-phenoxypropan-1-one

1-imidazol-1-yl-3-phenoxypropan-1-one (PubChem CID 82113731) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-imidazol-1-yl-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-imidazol-1-yl-3-phenoxypropan-1-one
PubChem CID82113731
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-imidazol-1-yl-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)n1ccnc1
InChIInChI=1S/C12H12N2O2/c15-12(14-8-7-13-10-14)6-9-16-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2
InChIKeyPRRUCUSSJGPNQO-UHFFFAOYSA-N
XLogP1.99
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one
CID 94273200
3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one
CID 94265821
4-(3-bromophenoxy)-1-imidazol-1-ylbutan-1-one
CID 94321406
1,6-di(imidazol-1-yl)hexane-1,6-dione
CID 14413796
3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one
CID 94265809
1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one
CID 94273204
2-(4-fluorophenoxy)-1-imidazol-1-ylethanone
CID 82114299
4-[4-(2-imidazol-1-yl-2-oxoethoxy)phenyl]-4-oxobutanoic acid
CID 44513962
N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine
CID 67415072
1,12-di(imidazol-1-yl)dodecane-1,12-dione
CID 14413802
1-imidazol-1-yl-2-(3-methylphenoxy)ethanone
CID 82113730
1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one
CID 82115600

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3-phenoxypropan-1-one?
The IUPAC name of 1-imidazol-1-yl-3-phenoxypropan-1-one (CID 82113731) is 1-imidazol-1-yl-3-phenoxypropan-1-one.
What is the SMILES notation for 1-imidazol-1-yl-3-phenoxypropan-1-one?
The canonical SMILES for 1-imidazol-1-yl-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)n1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-3-phenoxypropan-1-one?
The InChIKey is PRRUCUSSJGPNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12(14-8-7-13-10-14)6-9-16-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2.
What are the key properties of 1-imidazol-1-yl-3-phenoxypropan-1-one?
1-imidazol-1-yl-3-phenoxypropan-1-one has a molecular weight of 216.24 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3-phenoxypropan-1-one is sourced from PubChem (CID 82113731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).