3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one

C23H18Cl3NO3 — CID 3739562

IUPAC3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one
SMILESO=C(CC=NOCc1ccc(Cl)cc1)c1cccc(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H18Cl3NO3/c24-19-7-4-16(5-8-19)14-30-27-11-10-23(28)17-2-1-3-21(12-17)29-15-18-6-9-20(25)13-22(18)26/h1-9,11-13H,10,14-15H2
InChIKeyFNOYQWSVUNLOTN-UHFFFAOYSA-N
MW462.76 g/mol
LogP7.00
Rot. Bonds9

About 3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one

3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one (PubChem CID 3739562) has the molecular formula C23H18Cl3NO3 and a molecular weight of 462.76 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one
PubChem CID3739562
Molecular FormulaC23H18Cl3NO3
Molecular Weight462.76 g/mol
Exact Mass461.04
IUPAC Name3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one
SMILESO=C(CC=NOCc1ccc(Cl)cc1)c1cccc(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H18Cl3NO3/c24-19-7-4-16(5-8-19)14-30-27-11-10-23(28)17-2-1-3-21(12-17)29-15-18-6-9-20(25)13-22(18)26/h1-9,11-13H,10,14-15H2
InChIKeyFNOYQWSVUNLOTN-UHFFFAOYSA-N
XLogP7.00
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.76
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one
CID 6111445
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-3-hydroxyprop-2-en-1-one
CID 1477571
4-[3-[(4-chlorophenyl)methoxy]phenyl]-2,4-dioxobutanoic acid
CID 91935361
3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
CID 3839469
(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147
4-[[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate
CID 27108948
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(4-methylanilino)prop-2-en-1-one
CID 3681589
3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24702087
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657531
2-[[3-[(2,4-dichlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;ethane
CID 142024078
ethyl (E)-3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91685540
[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530136

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one?
The IUPAC name of 3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one (CID 3739562) is 3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one is O=C(CC=NOCc1ccc(Cl)cc1)c1cccc(OCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one?
The InChIKey is FNOYQWSVUNLOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3NO3/c24-19-7-4-16(5-8-19)14-30-27-11-10-23(28)17-2-1-3-21(12-17)29-15-18-6-9-20(25)13-22(18)26/h1-9,11-13H,10,14-15H2.
What are the key properties of 3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one?
3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one has a molecular weight of 462.76 g/mol, XLogP of 7.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 3739562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).