4,10-dimethylpyrano[2,3-f]chromene-2,8-dione

C14H10O4 — CID 1234115

IUPAC4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
SMILESCc1cc(=O)oc2c1ccc1oc(=O)cc(C)c12
InChIInChI=1S/C14H10O4/c1-7-5-12(16)18-14-9(7)3-4-10-13(14)8(2)6-11(15)17-10/h3-6H,1-2H3
InChIKeyLTEDTHUQZLAUMY-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.52
Rot. Bonds

About 4,10-dimethylpyrano[2,3-f]chromene-2,8-dione

4,10-dimethylpyrano[2,3-f]chromene-2,8-dione (PubChem CID 1234115) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4,10-dimethylpyrano[2,3-f]chromene-2,8-dione.

Molecular Properties

Compound Name4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
PubChem CID1234115
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
SMILESCc1cc(=O)oc2c1ccc1oc(=O)cc(C)c12
InChIInChI=1S/C14H10O4/c1-7-5-12(16)18-14-9(7)3-4-10-13(14)8(2)6-11(15)17-10/h3-6H,1-2H3
InChIKeyLTEDTHUQZLAUMY-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

4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
CID 131858865
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate
CID 6975739
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-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one
CID 627761
methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate
CID 88718270
4,6-dimethylchromen-2-one;molecular hydrogen
CID 143310046
CID 89064299
CID 89064299
9-methyl-3H-pyrano[3,2-e]indol-7-one
CID 11708244
6-iodo-5-methoxy-4-methylchromen-2-one
CID 121217791
8-iodo-4-methylchromen-2-one
CID 130067017

Frequently Asked Questions

What is the IUPAC name of 4,10-dimethylpyrano[2,3-f]chromene-2,8-dione?
The IUPAC name of 4,10-dimethylpyrano[2,3-f]chromene-2,8-dione (CID 1234115) is 4,10-dimethylpyrano[2,3-f]chromene-2,8-dione.
What is the SMILES notation for 4,10-dimethylpyrano[2,3-f]chromene-2,8-dione?
The canonical SMILES for 4,10-dimethylpyrano[2,3-f]chromene-2,8-dione is Cc1cc(=O)oc2c1ccc1oc(=O)cc(C)c12.
What is the InChIKey of 4,10-dimethylpyrano[2,3-f]chromene-2,8-dione?
The InChIKey is LTEDTHUQZLAUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c1-7-5-12(16)18-14-9(7)3-4-10-13(14)8(2)6-11(15)17-10/h3-6H,1-2H3.
What are the key properties of 4,10-dimethylpyrano[2,3-f]chromene-2,8-dione?
4,10-dimethylpyrano[2,3-f]chromene-2,8-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 4,10-dimethylpyrano[2,3-f]chromene-2,8-dione is sourced from PubChem (CID 1234115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).