3-(1-benzofuran-2-carbonyl)-6-methoxy-8-methylpyrano[2,3-b]chromene-2,5-dione

C23H14O7 — CID 164885633

IUPAC3-(1-benzofuran-2-carbonyl)-6-methoxy-8-methylpyrano[2,3-b]chromene-2,5-dione
SMILESCOc1cc(C)cc2oc3oc(=O)c(C(=O)c4cc5ccccc5o4)cc3c(=O)c12
InChIInChI=1S/C23H14O7/c1-11-7-16(27-2)19-17(8-11)29-23-14(21(19)25)10-13(22(26)30-23)20(24)18-9-12-5-3-4-6-15(12)28-18/h3-10H,1-2H3
InChIKeyLFSHKKSQPCQJBD-UHFFFAOYSA-N
MW402.36 g/mol
LogP4.19
Rot. Bonds3

About 3-(1-benzofuran-2-carbonyl)-6-methoxy-8-methylpyrano[2,3-b]chromene-2,5-dione

3-(1-benzofuran-2-carbonyl)-6-methoxy-8-methylpyrano[2,3-b]chromene-2,5-dione (PubChem CID 164885633) has the molecular formula C23H14O7 and a molecular weight of 402.36 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-6-methoxy-8-methylpyrano[2,3-b]chromene-2,5-dione.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-6-methoxy-8-methylpyrano[2,3-b]chromene-2,5-dione
PubChem CID164885633
Molecular FormulaC23H14O7
Molecular Weight402.36 g/mol
Exact Mass402.07
IUPAC Name3-(1-benzofuran-2-carbonyl)-6-methoxy-8-methylpyrano[2,3-b]chromene-2,5-dione
SMILESCOc1cc(C)cc2oc3oc(=O)c(C(=O)c4cc5ccccc5o4)cc3c(=O)c12
InChIInChI=1S/C23H14O7/c1-11-7-16(27-2)19-17(8-11)29-23-14(21(19)25)10-13(22(26)30-23)20(24)18-9-12-5-3-4-6-15(12)28-18/h3-10H,1-2H3
InChIKeyLFSHKKSQPCQJBD-UHFFFAOYSA-N
XLogP4.19
TPSA99.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(1-benzofuran-2-carbonyl)-5-ethoxy-7-methylchromen-2-one
CID 87692885
1-benzofuran-2-yl-(3-methoxy-2-propylphenyl)methanone
CID 172762456
N-[4-(1-benzofuran-2-carbonyl)phenyl]-2-methoxybenzamide
CID 42571061
1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone
CID 11055263
1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 115807026
N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
CID 110792977
3-(1-benzofuran-2-carbonyl)-7-pyrrolidin-1-ylchromen-2-one
CID 21217315
(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 29076010
(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114321301
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
1-benzofuran-2-yl(2-benzofuran-1-yl)methanone
CID 141203650
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9483304

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-6-methoxy-8-methylpyrano[2,3-b]chromene-2,5-dione?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-6-methoxy-8-methylpyrano[2,3-b]chromene-2,5-dione (CID 164885633) is 3-(1-benzofuran-2-carbonyl)-6-methoxy-8-methylpyrano[2,3-b]chromene-2,5-dione.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-6-methoxy-8-methylpyrano[2,3-b]chromene-2,5-dione?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-6-methoxy-8-methylpyrano[2,3-b]chromene-2,5-dione is COc1cc(C)cc2oc3oc(=O)c(C(=O)c4cc5ccccc5o4)cc3c(=O)c12.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-6-methoxy-8-methylpyrano[2,3-b]chromene-2,5-dione?
The InChIKey is LFSHKKSQPCQJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O7/c1-11-7-16(27-2)19-17(8-11)29-23-14(21(19)25)10-13(22(26)30-23)20(24)18-9-12-5-3-4-6-15(12)28-18/h3-10H,1-2H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-6-methoxy-8-methylpyrano[2,3-b]chromene-2,5-dione?
3-(1-benzofuran-2-carbonyl)-6-methoxy-8-methylpyrano[2,3-b]chromene-2,5-dione has a molecular weight of 402.36 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-6-methoxy-8-methylpyrano[2,3-b]chromene-2,5-dione is sourced from PubChem (CID 164885633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).