(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one

C23H17ClO4 — CID 19261037

IUPAC(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccccc1/C=C1\Oc2cc(OCc3ccc(Cl)cc3)ccc2C1=O
InChIInChI=1S/C23H17ClO4/c1-26-20-5-3-2-4-16(20)12-22-23(25)19-11-10-18(13-21(19)28-22)27-14-15-6-8-17(24)9-7-15/h2-13H,14H2,1H3/b22-12-
InChIKeyRVIJOMPDUXSZJD-UUYOSTAYSA-N
MW392.84 g/mol
LogP5.54
Rot. Bonds5

About (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one

(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 19261037) has the molecular formula C23H17ClO4 and a molecular weight of 392.84 g/mol. Its IUPAC name is (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
PubChem CID19261037
Molecular FormulaC23H17ClO4
Molecular Weight392.84 g/mol
Exact Mass392.08
IUPAC Name(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccccc1/C=C1\Oc2cc(OCc3ccc(Cl)cc3)ccc2C1=O
InChIInChI=1S/C23H17ClO4/c1-26-20-5-3-2-4-16(20)12-22-23(25)19-11-10-18(13-21(19)28-22)27-14-15-6-8-17(24)9-7-15/h2-13H,14H2,1H3/b22-12-
InChIKeyRVIJOMPDUXSZJD-UUYOSTAYSA-N
XLogP5.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(2-methoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 6316520
(2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 6317826
6-[(3-chlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 3691846
6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 5265733
6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 5265863
(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 6519974
(2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 2025832
(2Z)-6-[(3,4-dichlorophenyl)methoxy]-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one
CID 2019431
(2E)-2-[(4-tert-butylphenyl)methylidene]-6-[(4-chlorophenyl)methoxy]-1-benzofuran-3-one
CID 2021123
(2Z)-2-[(2-bromophenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one
CID 2018517
(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 2019420
2-[[2-[(2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoic acid
CID 4967292

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one (CID 19261037) is (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one is COc1ccccc1/C=C1\Oc2cc(OCc3ccc(Cl)cc3)ccc2C1=O.
What is the InChIKey of (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is RVIJOMPDUXSZJD-UUYOSTAYSA-N. The full InChI is InChI=1S/C23H17ClO4/c1-26-20-5-3-2-4-16(20)12-22-23(25)19-11-10-18(13-21(19)28-22)27-14-15-6-8-17(24)9-7-15/h2-13H,14H2,1H3/b22-12-.
What are the key properties of (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one?
(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 392.84 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 19261037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).