6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one

C16H10Cl3NO3 — CID 134114772

IUPAC6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one
SMILESO=C1OC(/C=N/OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc21
InChIInChI=1S/C16H10Cl3NO3/c17-10-3-4-12-13(5-10)16(21)23-15(12)7-20-22-8-9-1-2-11(18)6-14(9)19/h1-7,15H,8H2/b20-7+
InChIKeyLLRGPBIIBBWTGB-IFRROFPPSA-N
MW370.62 g/mol
LogP5.06
Rot. Bonds4

About 6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one

6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one (PubChem CID 134114772) has the molecular formula C16H10Cl3NO3 and a molecular weight of 370.62 g/mol. Its IUPAC name is 6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one
PubChem CID134114772
Molecular FormulaC16H10Cl3NO3
Molecular Weight370.62 g/mol
Exact Mass368.97
IUPAC Name6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one
SMILESO=C1OC(/C=N/OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc21
InChIInChI=1S/C16H10Cl3NO3/c17-10-3-4-12-13(5-10)16(21)23-15(12)7-20-22-8-9-1-2-11(18)6-14(9)19/h1-7,15H,8H2/b20-7+
InChIKeyLLRGPBIIBBWTGB-IFRROFPPSA-N
XLogP5.06
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 55.06
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'}

Analyze 6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one?
The IUPAC name of 6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one (CID 134114772) is 6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one is O=C1OC(/C=N/OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one?
The InChIKey is LLRGPBIIBBWTGB-IFRROFPPSA-N. The full InChI is InChI=1S/C16H10Cl3NO3/c17-10-3-4-12-13(5-10)16(21)23-15(12)7-20-22-8-9-1-2-11(18)6-14(9)19/h1-7,15H,8H2/b20-7+.
What are the key properties of 6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one?
6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one has a molecular weight of 370.62 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 134114772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).