4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate

C14H7O6- — CID 6975739

IUPAC4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)[O-])cc(=O)c12
InChIInChI=1S/C14H8O6/c1-6-4-11(16)20-13-7(6)2-3-9-12(13)8(15)5-10(19-9)14(17)18/h2-5H,1H3,(H,17,18)/p-1
InChIKeyGXVVJCKXVILLPA-UHFFFAOYSA-M
MW271.20 g/mol
LogP0.57
Rot. Bonds1

About 4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate

4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate (PubChem CID 6975739) has the molecular formula C14H7O6- and a molecular weight of 271.20 g/mol. Its IUPAC name is 4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate.

Molecular Properties

Compound Name4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate
PubChem CID6975739
Molecular FormulaC14H7O6-
Molecular Weight271.20 g/mol
Exact Mass271.02
IUPAC Name4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)[O-])cc(=O)c12
InChIInChI=1S/C14H8O6/c1-6-4-11(16)20-13-7(6)2-3-9-12(13)8(15)5-10(19-9)14(17)18/h2-5H,1H3,(H,17,18)/p-1
InChIKeyGXVVJCKXVILLPA-UHFFFAOYSA-M
XLogP0.57
TPSA100.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate
CID 88718270
9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
CID 131858865
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide
CID 3058817
6-fluoro-4-oxochromene-2-carboxylate
CID 6951269
N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 3058824
8-[[4-(diethylamino)phenyl]diazenyl]-9-hydroxy-4-methylfuro[2,3-h]chromen-2-one
CID 4573532
6-(2-hydroxypropyl)-4-oxochromene-2-carboxylate
CID 90469973
5,8-dimethoxy-4-oxochromene-2-carboxylate
CID 6928203
4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one
CID 44600693

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate?
The IUPAC name of 4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate (CID 6975739) is 4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate.
What is the SMILES notation for 4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate?
The canonical SMILES for 4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate is Cc1cc(=O)oc2c1ccc1oc(C(=O)[O-])cc(=O)c12.
What is the InChIKey of 4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate?
The InChIKey is GXVVJCKXVILLPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H8O6/c1-6-4-11(16)20-13-7(6)2-3-9-12(13)8(15)5-10(19-9)14(17)18/h2-5H,1H3,(H,17,18)/p-1.
What are the key properties of 4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate?
4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate has a molecular weight of 271.20 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate is sourced from PubChem (CID 6975739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).