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'}

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Related Compounds

N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine
CID 5142873
methyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate
CID 2764730
(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
CID 88512625
3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
CID 3839469
1-[3-[(2,4-dichlorophenyl)methoxyimino]propanoylamino]-3-methylthiourea
CID 3372799
(E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine
CID 127025143
[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530136
methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate
CID 40512717
N-[(2,4-dichlorophenyl)methoxy]formamide
CID 19046665
4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 60705420
3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one
CID 3739562
(3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one
CID 6111445

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).