(2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one

C16H10Cl2O3 — CID 71687808

IUPAC(2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one
SMILESCc1cc(O)cc2c1C(=O)/C(=C/c1cc(Cl)cc(Cl)c1)O2
InChIInChI=1S/C16H10Cl2O3/c1-8-2-12(19)7-13-15(8)16(20)14(21-13)5-9-3-10(17)6-11(18)4-9/h2-7,19H,1H3/b14-5-
InChIKeySMGCMJSWHLEIHZ-RZNTYIFUSA-N
MW321.16 g/mol
LogP4.62
Rot. Bonds1

About (2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one

(2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one (PubChem CID 71687808) has the molecular formula C16H10Cl2O3 and a molecular weight of 321.16 g/mol. Its IUPAC name is (2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one
PubChem CID71687808
Molecular FormulaC16H10Cl2O3
Molecular Weight321.16 g/mol
Exact Mass320.00
IUPAC Name(2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one
SMILESCc1cc(O)cc2c1C(=O)/C(=C/c1cc(Cl)cc(Cl)c1)O2
InChIInChI=1S/C16H10Cl2O3/c1-8-2-12(19)7-13-15(8)16(20)14(21-13)5-9-3-10(17)6-11(18)4-9/h2-7,19H,1H3/b14-5-
InChIKeySMGCMJSWHLEIHZ-RZNTYIFUSA-N
XLogP4.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Dibenzofuranol, 8-chloro-
CID 3016682
6-Hydroxy-4-methyl-2,3-dihydro-1-benzofuran-3-one
CID 8073277
(2Z)-2-[(3-chlorophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one
CID 46838132
(Z)-6-hydroxy-2-(4-methoxybenzylidene)benzofuran-3(2H)-one
CID 732043
(2Z)-2-[(2-chlorophenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
CID 25146735
(2Z)-2-[(3-chlorophenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
CID 25146736
(2-Chloro-phenyl)-(6-hydroxy-3-phenyl-benzofuran-2-yl)-methanone
CID 44329504
1-[4-[(3-Chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone
CID 91863224
(2Z)-2-(2-hydroxybenzylidene)-6-methoxy-1-benzofuran-3(2H)-one
CID 642390
6-Hydroxy-4-methyl-2-[(4-methylphenyl)methylene]benzo[b]furan-3-one
CID 8057006
(2Z)-2-(4-chlorobenzylidene)-6-hydroxy-1-benzofuran-3(2H)-one
CID 734286
(2Z)-6-hydroxy-2-(3-methoxybenzylidene)-1-benzofuran-3(2H)-one
CID 909020

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one (CID 71687808) is (2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one is Cc1cc(O)cc2c1C(=O)/C(=C/c1cc(Cl)cc(Cl)c1)O2.
What is the InChIKey of (2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one?
The InChIKey is SMGCMJSWHLEIHZ-RZNTYIFUSA-N. The full InChI is InChI=1S/C16H10Cl2O3/c1-8-2-12(19)7-13-15(8)16(20)14(21-13)5-9-3-10(17)6-11(18)4-9/h2-7,19H,1H3/b14-5-.
What are the key properties of (2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one?
(2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one has a molecular weight of 321.16 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one is sourced from PubChem (CID 71687808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).