2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione

C19H14O6 — CID 135640232

IUPAC2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione
SMILESCc1ccc2occ(C3CC(=O)Oc4c3oc(C)cc4=O)c(=O)c2c1
InChIInChI=1S/C19H14O6/c1-9-3-4-15-12(5-9)17(22)13(8-23-15)11-7-16(21)25-19-14(20)6-10(2)24-18(11)19/h3-6,8,11H,7H2,1-2H3
InChIKeyNTRUNFWCTDZTMB-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.80
Rot. Bonds1

About 2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione

2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione (PubChem CID 135640232) has the molecular formula C19H14O6 and a molecular weight of 338.32 g/mol. Its IUPAC name is 2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione.

Molecular Properties

Compound Name2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione
PubChem CID135640232
Molecular FormulaC19H14O6
Molecular Weight338.32 g/mol
Exact Mass338.08
IUPAC Name2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione
SMILESCc1ccc2occ(C3CC(=O)Oc4c3oc(C)cc4=O)c(=O)c2c1
InChIInChI=1S/C19H14O6/c1-9-3-4-15-12(5-9)17(22)13(8-23-15)11-7-16(21)25-19-14(20)6-10(2)24-18(11)19/h3-6,8,11H,7H2,1-2H3
InChIKeyNTRUNFWCTDZTMB-UHFFFAOYSA-N
XLogP2.80
TPSA86.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione with MolForge

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Related Compounds

2-methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione
CID 135640567
(2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 91637481
(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 102564621
(4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
CID 99992460
(10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97488578
(4R)-4-(6-chloro-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
CID 99989931
(8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
CID 99996095
(4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97263928
3-iodo-2-(6-methyl-4-oxochromen-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 155085634
6-methyl-4-oxochromene-3-carbonyl chloride
CID 139222977
(6R)-2,3,9,9-tetramethyl-6-(6-methyl-4-oxochromen-3-yl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 7092805
(2Z)-2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127254048

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione?
The IUPAC name of 2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione (CID 135640232) is 2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione.
What is the SMILES notation for 2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione?
The canonical SMILES for 2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione is Cc1ccc2occ(C3CC(=O)Oc4c3oc(C)cc4=O)c(=O)c2c1.
What is the InChIKey of 2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione?
The InChIKey is NTRUNFWCTDZTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O6/c1-9-3-4-15-12(5-9)17(22)13(8-23-15)11-7-16(21)25-19-14(20)6-10(2)24-18(11)19/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione?
2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione has a molecular weight of 338.32 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione is sourced from PubChem (CID 135640232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).