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

C18H18O7 — CID 135640567

IUPAC2-methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione
SMILESCOc1ccc(C2CC(=O)Oc3c2oc(C)cc3=O)c(OC)c1OC
InChIInChI=1S/C18H18O7/c1-9-7-12(19)17-16(24-9)11(8-14(20)25-17)10-5-6-13(21-2)18(23-4)15(10)22-3/h5-7,11H,8H2,1-4H3
InChIKeyUSQOLOLMRWVWBF-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.42
Rot. Bonds4

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

2-methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione (PubChem CID 135640567) has the molecular formula C18H18O7 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione.

Molecular Properties

Compound Name2-methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione
PubChem CID135640567
Molecular FormulaC18H18O7
Molecular Weight346.34 g/mol
Exact Mass346.11
IUPAC Name2-methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione
SMILESCOc1ccc(C2CC(=O)Oc3c2oc(C)cc3=O)c(OC)c1OC
InChIInChI=1S/C18H18O7/c1-9-7-12(19)17-16(24-9)11(8-14(20)25-17)10-5-6-13(21-2)18(23-4)15(10)22-3/h5-7,11H,8H2,1-4H3
InChIKeyUSQOLOLMRWVWBF-UHFFFAOYSA-N
XLogP2.42
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-methyl-8-(6-methyl-4-oxochromen-3-yl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione
CID 135640232
(10S)-5-methoxy-2-phenyl-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97425608
(10S)-5-hydroxy-2-phenyl-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424731
3-methyl-5-(2,3,4-trimethoxyphenyl)cyclohex-2-en-1-one
CID 165355625
1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496414
(10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 125122047
(4R)-4-(4-methoxynaphthalen-1-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125433547
5-hydroxy-3-(4-methoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71754809
(3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 163087597
(4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one
CID 101014350
(8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one
CID 53238093
(4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540077

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione?
The IUPAC name of 2-methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione (CID 135640567) is 2-methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione.
What is the SMILES notation for 2-methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione?
The canonical SMILES for 2-methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione is COc1ccc(C2CC(=O)Oc3c2oc(C)cc3=O)c(OC)c1OC.
What is the InChIKey of 2-methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione?
The InChIKey is USQOLOLMRWVWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O7/c1-9-7-12(19)17-16(24-9)11(8-14(20)25-17)10-5-6-13(21-2)18(23-4)15(10)22-3/h5-7,11H,8H2,1-4H3.
What are the key properties of 2-methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione?
2-methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione has a molecular weight of 346.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione is sourced from PubChem (CID 135640567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).