4-methylpyrano[2,3-f]chromene-2,8-dione

C13H8O4 — CID 13165001

IUPAC4-methylpyrano[2,3-f]chromene-2,8-dione
SMILESCc1cc(=O)oc2c1ccc1oc(=O)ccc12
InChIInChI=1S/C13H8O4/c1-7-6-12(15)17-13-8(7)2-4-10-9(13)3-5-11(14)16-10/h2-6H,1H3
InChIKeyWULNFTPLJBUGLI-UHFFFAOYSA-N
MW228.20 g/mol
LogP2.21
Rot. Bonds

About 4-methylpyrano[2,3-f]chromene-2,8-dione

4-methylpyrano[2,3-f]chromene-2,8-dione (PubChem CID 13165001) has the molecular formula C13H8O4 and a molecular weight of 228.20 g/mol. Its IUPAC name is 4-methylpyrano[2,3-f]chromene-2,8-dione.

Molecular Properties

Compound Name4-methylpyrano[2,3-f]chromene-2,8-dione
PubChem CID13165001
Molecular FormulaC13H8O4
Molecular Weight228.20 g/mol
Exact Mass228.04
IUPAC Name4-methylpyrano[2,3-f]chromene-2,8-dione
SMILESCc1cc(=O)oc2c1ccc1oc(=O)ccc12
InChIInChI=1S/C13H8O4/c1-7-6-12(15)17-13-8(7)2-4-10-9(13)3-5-11(14)16-10/h2-6H,1H3
InChIKeyWULNFTPLJBUGLI-UHFFFAOYSA-N
XLogP2.21
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione
CID 11666843
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
CID 131858865
4,6-dimethylchromen-2-one;molecular hydrogen
CID 143310046
CID 89064299
CID 89064299
dimethyltin;4-methylchromen-2-one
CID 175284443
4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate
CID 6975739
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
8-iodo-4-methylchromen-2-one
CID 130067017
7-ethyl-4-methylchromen-2-one
CID 5160585
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509

Frequently Asked Questions

What is the IUPAC name of 4-methylpyrano[2,3-f]chromene-2,8-dione?
The IUPAC name of 4-methylpyrano[2,3-f]chromene-2,8-dione (CID 13165001) is 4-methylpyrano[2,3-f]chromene-2,8-dione.
What is the SMILES notation for 4-methylpyrano[2,3-f]chromene-2,8-dione?
The canonical SMILES for 4-methylpyrano[2,3-f]chromene-2,8-dione is Cc1cc(=O)oc2c1ccc1oc(=O)ccc12.
What is the InChIKey of 4-methylpyrano[2,3-f]chromene-2,8-dione?
The InChIKey is WULNFTPLJBUGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O4/c1-7-6-12(15)17-13-8(7)2-4-10-9(13)3-5-11(14)16-10/h2-6H,1H3.
What are the key properties of 4-methylpyrano[2,3-f]chromene-2,8-dione?
4-methylpyrano[2,3-f]chromene-2,8-dione has a molecular weight of 228.20 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrano[2,3-f]chromene-2,8-dione is sourced from PubChem (CID 13165001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).