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

C24H19ClO3 — CID 4244641

IUPAC6-[(2-chlorophenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one
SMILESCCc1ccc(C=C2Oc3cc(OCc4ccccc4Cl)ccc3C2=O)cc1
InChIInChI=1S/C24H19ClO3/c1-2-16-7-9-17(10-8-16)13-23-24(26)20-12-11-19(14-22(20)28-23)27-15-18-5-3-4-6-21(18)25/h3-14H,2,15H2,1H3
InChIKeyKWVZQRNZWVLBMD-UHFFFAOYSA-N
MW390.87 g/mol
LogP6.10
Rot. Bonds5

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

6-[(2-chlorophenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 4244641) has the molecular formula C24H19ClO3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one
PubChem CID4244641
Molecular FormulaC24H19ClO3
Molecular Weight390.87 g/mol
Exact Mass390.10
IUPAC Name6-[(2-chlorophenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one
SMILESCCc1ccc(C=C2Oc3cc(OCc4ccccc4Cl)ccc3C2=O)cc1
InChIInChI=1S/C24H19ClO3/c1-2-16-7-9-17(10-8-16)13-23-24(26)20-12-11-19(14-22(20)28-23)27-15-18-5-3-4-6-21(18)25/h3-14H,2,15H2,1H3
InChIKeyKWVZQRNZWVLBMD-UHFFFAOYSA-N
XLogP6.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(4-tert-butylphenyl)methylidene]-6-[(2-chlorophenyl)methoxy]-1-benzofuran-3-one
CID 2032890
6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 3538773
2-[(4-bromophenyl)methylidene]-6-[(2-chlorophenyl)methoxy]-1-benzofuran-3-one
CID 3880430
(2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one
CID 2007737
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 6532638
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methylphenyl)methoxy]-1-benzofuran-3-one
CID 2021193
6-[(2,5-dimethylphenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one
CID 3323511
2-[(4-chlorophenyl)methylidene]-6-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 5265807
2-benzylidene-6-[(2,6-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 5265805
(2Z)-2-benzylidene-6-[(2,6-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 19261053
2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 5265515
(2Z)-6-[(2,4-dichlorophenyl)methoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 19261054

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of 6-[(2-chlorophenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one (CID 4244641) is 6-[(2-chlorophenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for 6-[(2-chlorophenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for 6-[(2-chlorophenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one is CCc1ccc(C=C2Oc3cc(OCc4ccccc4Cl)ccc3C2=O)cc1.
What is the InChIKey of 6-[(2-chlorophenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is KWVZQRNZWVLBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClO3/c1-2-16-7-9-17(10-8-16)13-23-24(26)20-12-11-19(14-22(20)28-23)27-15-18-5-3-4-6-21(18)25/h3-14H,2,15H2,1H3.
What are the key properties of 6-[(2-chlorophenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one?
6-[(2-chlorophenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 390.87 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 4244641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).