2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one

C33H22O4 — CID 10790956

IUPAC2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one
SMILESCc1c(C(=O)c2ccccc2)oc2cc3oc(=O)c(-c4ccccc4)c(/C=C/c4ccccc4)c3cc12
InChIInChI=1S/C33H22O4/c1-21-26-19-27-25(18-17-22-11-5-2-6-12-22)30(23-13-7-3-8-14-23)33(35)37-29(27)20-28(26)36-32(21)31(34)24-15-9-4-10-16-24/h2-20H,1H3/b18-17+
InChIKeyXPPNMVMZEFDWAB-ISLYRVAYSA-N
MW482.54 g/mol
LogP7.92
Rot. Bonds5

About 2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one

2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one (PubChem CID 10790956) has the molecular formula C33H22O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one
PubChem CID10790956
Molecular FormulaC33H22O4
Molecular Weight482.54 g/mol
Exact Mass482.15
IUPAC Name2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one
SMILESCc1c(C(=O)c2ccccc2)oc2cc3oc(=O)c(-c4ccccc4)c(/C=C/c4ccccc4)c3cc12
InChIInChI=1S/C33H22O4/c1-21-26-19-27-25(18-17-22-11-5-2-6-12-22)30(23-13-7-3-8-14-23)33(35)37-29(27)20-28(26)36-32(21)31(34)24-15-9-4-10-16-24/h2-20H,1H3/b18-17+
InChIKeyXPPNMVMZEFDWAB-ISLYRVAYSA-N
XLogP7.92
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 57.92
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-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one
CID 10625080
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
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
(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
6-bromo-3-(4-methoxybenzoyl)-4-[(E)-2-phenylethenyl]chromen-2-one
CID 164686714
N-cyclopropyl-2-(2,5-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
CID 4869641
3-benzoyl-4-phenylchromen-2-one
CID 629843
3-benzoyl-6,8-ditert-butyl-4-[(E)-2-phenylethenyl]chromen-2-one
CID 164685560

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one?
The IUPAC name of 2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one (CID 10790956) is 2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one.
What is the SMILES notation for 2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one?
The canonical SMILES for 2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one is Cc1c(C(=O)c2ccccc2)oc2cc3oc(=O)c(-c4ccccc4)c(/C=C/c4ccccc4)c3cc12.
What is the InChIKey of 2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one?
The InChIKey is XPPNMVMZEFDWAB-ISLYRVAYSA-N. The full InChI is InChI=1S/C33H22O4/c1-21-26-19-27-25(18-17-22-11-5-2-6-12-22)30(23-13-7-3-8-14-23)33(35)37-29(27)20-28(26)36-32(21)31(34)24-15-9-4-10-16-24/h2-20H,1H3/b18-17+.
What are the key properties of 2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one?
2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one has a molecular weight of 482.54 g/mol, XLogP of 7.92, 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-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one is sourced from PubChem (CID 10790956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).