2-(3-chlorophenoxy)-1-(1-propylimidazol-2-yl)propan-1-one

C15H17ClN2O2 — CID 105100675

IUPAC2-(3-chlorophenoxy)-1-(1-propylimidazol-2-yl)propan-1-one
SMILESCCCn1ccnc1C(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2/c1-3-8-18-9-7-17-15(18)14(19)11(2)20-13-6-4-5-12(16)10-13/h4-7,9-11H,3,8H2,1-2H3
InChIKeyHTROYHZSWWBPQK-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.60
Rot. Bonds6

About 2-(3-chlorophenoxy)-1-(1-propylimidazol-2-yl)propan-1-one

2-(3-chlorophenoxy)-1-(1-propylimidazol-2-yl)propan-1-one (PubChem CID 105100675) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(1-propylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(1-propylimidazol-2-yl)propan-1-one
PubChem CID105100675
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-(3-chlorophenoxy)-1-(1-propylimidazol-2-yl)propan-1-one
SMILESCCCn1ccnc1C(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2/c1-3-8-18-9-7-17-15(18)14(19)11(2)20-13-6-4-5-12(16)10-13/h4-7,9-11H,3,8H2,1-2H3
InChIKeyHTROYHZSWWBPQK-UHFFFAOYSA-N
XLogP3.60
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
CID 61316276
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one
CID 105113491
(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone
CID 107099568
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119643
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one
CID 105099319
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
CID 47368061
(2R)-2-(3-chlorophenoxy)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylpropanamide
CID 96533228
(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
CID 966263

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(1-propylimidazol-2-yl)propan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-1-(1-propylimidazol-2-yl)propan-1-one (CID 105100675) is 2-(3-chlorophenoxy)-1-(1-propylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(1-propylimidazol-2-yl)propan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(1-propylimidazol-2-yl)propan-1-one is CCCn1ccnc1C(=O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(1-propylimidazol-2-yl)propan-1-one?
The InChIKey is HTROYHZSWWBPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-8-18-9-7-17-15(18)14(19)11(2)20-13-6-4-5-12(16)10-13/h4-7,9-11H,3,8H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(1-propylimidazol-2-yl)propan-1-one?
2-(3-chlorophenoxy)-1-(1-propylimidazol-2-yl)propan-1-one has a molecular weight of 292.77 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(1-propylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 105100675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).