3,4-dimethylpyrano[3,2-c]chromene-2,5-dione

C14H10O4 — CID 23605341

IUPAC3,4-dimethylpyrano[3,2-c]chromene-2,5-dione
SMILESCc1c(C)c2c(=O)oc3ccccc3c2oc1=O
InChIInChI=1S/C14H10O4/c1-7-8(2)13(15)18-12-9-5-3-4-6-10(9)17-14(16)11(7)12/h3-6H,1-2H3
InChIKeyGPZAYZGTVZXHCC-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.52
Rot. Bonds

About 3,4-dimethylpyrano[3,2-c]chromene-2,5-dione

3,4-dimethylpyrano[3,2-c]chromene-2,5-dione (PubChem CID 23605341) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3,4-dimethylpyrano[3,2-c]chromene-2,5-dione.

Molecular Properties

Compound Name3,4-dimethylpyrano[3,2-c]chromene-2,5-dione
PubChem CID23605341
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name3,4-dimethylpyrano[3,2-c]chromene-2,5-dione
SMILESCc1c(C)c2c(=O)oc3ccccc3c2oc1=O
InChIInChI=1S/C14H10O4/c1-7-8(2)13(15)18-12-9-5-3-4-6-10(9)17-14(16)11(7)12/h3-6H,1-2H3
InChIKeyGPZAYZGTVZXHCC-UHFFFAOYSA-N
XLogP2.52
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.52
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

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CID 54687016
2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one
CID 102369758
4-(dimethylamino)-3-methylchromen-2-one
CID 87273287
3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one
CID 135031779
8-bromo-[1]benzofuro[3,2-c]chromen-6-one
CID 132544838
4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide
CID 102329972
4-cyclohexyl-3-methylchromen-2-one
CID 11195874
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
2-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 110272886
3,4-dihydroxy-1,2-dimethylxanthen-9-one
CID 172645694
furo[3,2-c]chromen-4-one
CID 1488785
3-chloro-2-(1-chloro-2-hydroxypropan-2-yl)furo[3,2-c]chromen-4-one
CID 102407221

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpyrano[3,2-c]chromene-2,5-dione?
The IUPAC name of 3,4-dimethylpyrano[3,2-c]chromene-2,5-dione (CID 23605341) is 3,4-dimethylpyrano[3,2-c]chromene-2,5-dione.
What is the SMILES notation for 3,4-dimethylpyrano[3,2-c]chromene-2,5-dione?
The canonical SMILES for 3,4-dimethylpyrano[3,2-c]chromene-2,5-dione is Cc1c(C)c2c(=O)oc3ccccc3c2oc1=O.
What is the InChIKey of 3,4-dimethylpyrano[3,2-c]chromene-2,5-dione?
The InChIKey is GPZAYZGTVZXHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c1-7-8(2)13(15)18-12-9-5-3-4-6-10(9)17-14(16)11(7)12/h3-6H,1-2H3.
What are the key properties of 3,4-dimethylpyrano[3,2-c]chromene-2,5-dione?
3,4-dimethylpyrano[3,2-c]chromene-2,5-dione has a molecular weight of 242.23 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpyrano[3,2-c]chromene-2,5-dione is sourced from PubChem (CID 23605341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).