2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one

C34H24O4 — CID 10625080

IUPAC2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one
SMILESCc1ccc(/C=C/c2c(-c3ccccc3)c(=O)oc3cc4oc(C(=O)c5ccccc5)c(C)c4cc23)cc1
InChIInChI=1S/C34H24O4/c1-21-13-15-23(16-14-21)17-18-26-28-19-27-22(2)33(32(35)25-11-7-4-8-12-25)37-29(27)20-30(28)38-34(36)31(26)24-9-5-3-6-10-24/h3-20H,1-2H3/b18-17+
InChIKeyQCDQWIGGLVJXBF-ISLYRVAYSA-N
MW496.56 g/mol
LogP8.22
Rot. Bonds5

About 2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one

2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one (PubChem CID 10625080) has the molecular formula C34H24O4 and a molecular weight of 496.56 g/mol. Its IUPAC name is 2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one
PubChem CID10625080
Molecular FormulaC34H24O4
Molecular Weight496.56 g/mol
Exact Mass496.17
IUPAC Name2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one
SMILESCc1ccc(/C=C/c2c(-c3ccccc3)c(=O)oc3cc4oc(C(=O)c5ccccc5)c(C)c4cc23)cc1
InChIInChI=1S/C34H24O4/c1-21-13-15-23(16-14-21)17-18-26-28-19-27-22(2)33(32(35)25-11-7-4-8-12-25)37-29(27)20-30(28)38-34(36)31(26)24-9-5-3-6-10-24/h3-20H,1-2H3/b18-17+
InChIKeyQCDQWIGGLVJXBF-ISLYRVAYSA-N
XLogP8.22
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.56
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one
CID 10790956
4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
CID 3437445
[2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone
CID 11753199
4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one
CID 102021642
3-benzoyl-6-bromo-4-[(E)-2-phenylethenyl]chromen-2-one
CID 164686713
9-methyl-10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one
CID 707799
4-(2,2-diphenylethenyl)-3-phenylchromen-2-one
CID 132820910
(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 102949358
2-[[3-methyl-2-(4-phenylbenzoyl)-1-benzofuran-6-yl]amino]-2-oxoacetic acid
CID 19417828
(4-methyl-2-oxo-3-phenylchromen-6-yl) acetate
CID 7198791
5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 57395463
N-cyclopropyl-2-(2,5-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
CID 4869641

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one?
The IUPAC name of 2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one (CID 10625080) is 2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one is Cc1ccc(/C=C/c2c(-c3ccccc3)c(=O)oc3cc4oc(C(=O)c5ccccc5)c(C)c4cc23)cc1.
What is the InChIKey of 2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one?
The InChIKey is QCDQWIGGLVJXBF-ISLYRVAYSA-N. The full InChI is InChI=1S/C34H24O4/c1-21-13-15-23(16-14-21)17-18-26-28-19-27-22(2)33(32(35)25-11-7-4-8-12-25)37-29(27)20-30(28)38-34(36)31(26)24-9-5-3-6-10-24/h3-20H,1-2H3/b18-17+.
What are the key properties of 2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one?
2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one has a molecular weight of 496.56 g/mol, XLogP of 8.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 10625080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).