1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one

C15H11Cl3O2 — CID 60624707

IUPAC1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H11Cl3O2/c1-9(15(19)10-4-2-5-11(16)8-10)20-13-7-3-6-12(17)14(13)18/h2-9H,1H3
InChIKeyAPMGJJYXTCXHDL-UHFFFAOYSA-N
MW329.61 g/mol
LogP5.30
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one

1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one (PubChem CID 60624707) has the molecular formula C15H11Cl3O2 and a molecular weight of 329.61 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one
PubChem CID60624707
Molecular FormulaC15H11Cl3O2
Molecular Weight329.61 g/mol
Exact Mass327.98
IUPAC Name1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H11Cl3O2/c1-9(15(19)10-4-2-5-11(16)8-10)20-13-7-3-6-12(17)14(13)18/h2-9H,1H3
InChIKeyAPMGJJYXTCXHDL-UHFFFAOYSA-N
XLogP5.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.61
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-(2-fluorophenoxy)propan-1-one
CID 43412974
4-chloro-2-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 114323738
(2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 7787713
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
1-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propan-1-one
CID 63649694
(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 891501
(2R)-2-(2,3-dichlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7787703
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961
1-(3-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-one
CID 66277629
4-chloro-N-[3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645135
N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 118259670
4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645145

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one (CID 60624707) is 1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one is CC(Oc1cccc(Cl)c1Cl)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one?
The InChIKey is APMGJJYXTCXHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O2/c1-9(15(19)10-4-2-5-11(16)8-10)20-13-7-3-6-12(17)14(13)18/h2-9H,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one?
1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one has a molecular weight of 329.61 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one is sourced from PubChem (CID 60624707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).