2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one

C23H18O3 — CID 5265515

IUPAC2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
SMILESCc1ccccc1COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O
InChIInChI=1S/C23H18O3/c1-16-7-5-6-10-18(16)15-25-19-11-12-20-21(14-19)26-22(23(20)24)13-17-8-3-2-4-9-17/h2-14H,15H2,1H3
InChIKeyOACXSWOGNFUVBP-UHFFFAOYSA-N
MW342.39 g/mol
LogP5.19
Rot. Bonds4

About 2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one

2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one (PubChem CID 5265515) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one.

Molecular Properties

Compound Name2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
PubChem CID5265515
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
SMILESCc1ccccc1COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O
InChIInChI=1S/C23H18O3/c1-16-7-5-6-10-18(16)15-25-19-11-12-20-21(14-19)26-22(23(20)24)13-17-8-3-2-4-9-17/h2-14H,15H2,1H3
InChIKeyOACXSWOGNFUVBP-UHFFFAOYSA-N
XLogP5.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.39
LogP ≤ 55.19
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

(2Z)-6-[(2-methylphenyl)methoxy]-2-[(3-methylphenyl)methylidene]-1-benzofuran-3-one
CID 6532546
2-[(4-bromophenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 3904736
2-[(3,4-dimethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 5096301
(2Z)-2-[(2-methoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 6316520
2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 5265512
6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 3538773
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
6-[(2-methylphenyl)methoxy]-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 4266889
6-[(2,5-dimethylphenyl)methoxy]-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 5265656
(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
CID 642380
(2E)-2-[(4-tert-butylphenyl)methylidene]-6-[(2-chlorophenyl)methoxy]-1-benzofuran-3-one
CID 2032890

Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one?
The IUPAC name of 2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one (CID 5265515) is 2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one.
What is the SMILES notation for 2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one?
The canonical SMILES for 2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one is Cc1ccccc1COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O.
What is the InChIKey of 2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one?
The InChIKey is OACXSWOGNFUVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3/c1-16-7-5-6-10-18(16)15-25-19-11-12-20-21(14-19)26-22(23(20)24)13-17-8-3-2-4-9-17/h2-14H,15H2,1H3.
What are the key properties of 2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one?
2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one has a molecular weight of 342.39 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one is sourced from PubChem (CID 5265515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).