5,6,7-trimethoxy-9-methyl-3,4a-dihydro-2H-indeno[1,2-b][1,4]dioxine

C15H18O5 — CID 12008921

IUPAC5,6,7-trimethoxy-9-methyl-3,4a-dihydro-2H-indeno[1,2-b][1,4]dioxine
SMILESCOc1cc2c(c(OC)c1OC)C1OCCOC1=C2C
InChIInChI=1S/C15H18O5/c1-8-9-7-10(16-2)13(17-3)14(18-4)11(9)15-12(8)19-5-6-20-15/h7,15H,5-6H2,1-4H3
InChIKeyYYEZHDLXPHUGAV-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.54
Rot. Bonds3

About 5,6,7-trimethoxy-9-methyl-3,4a-dihydro-2H-indeno[1,2-b][1,4]dioxine

5,6,7-trimethoxy-9-methyl-3,4a-dihydro-2H-indeno[1,2-b][1,4]dioxine (PubChem CID 12008921) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 5,6,7-trimethoxy-9-methyl-3,4a-dihydro-2H-indeno[1,2-b][1,4]dioxine.

Molecular Properties

Compound Name5,6,7-trimethoxy-9-methyl-3,4a-dihydro-2H-indeno[1,2-b][1,4]dioxine
PubChem CID12008921
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name5,6,7-trimethoxy-9-methyl-3,4a-dihydro-2H-indeno[1,2-b][1,4]dioxine
SMILESCOc1cc2c(c(OC)c1OC)C1OCCOC1=C2C
InChIInChI=1S/C15H18O5/c1-8-9-7-10(16-2)13(17-3)14(18-4)11(9)15-12(8)19-5-6-20-15/h7,15H,5-6H2,1-4H3
InChIKeyYYEZHDLXPHUGAV-UHFFFAOYSA-N
XLogP2.54
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-9-methyl-3,4a-dihydro-2H-indeno[1,2-b][1,4]dioxine?
The IUPAC name of 5,6,7-trimethoxy-9-methyl-3,4a-dihydro-2H-indeno[1,2-b][1,4]dioxine (CID 12008921) is 5,6,7-trimethoxy-9-methyl-3,4a-dihydro-2H-indeno[1,2-b][1,4]dioxine.
What is the SMILES notation for 5,6,7-trimethoxy-9-methyl-3,4a-dihydro-2H-indeno[1,2-b][1,4]dioxine?
The canonical SMILES for 5,6,7-trimethoxy-9-methyl-3,4a-dihydro-2H-indeno[1,2-b][1,4]dioxine is COc1cc2c(c(OC)c1OC)C1OCCOC1=C2C.
What is the InChIKey of 5,6,7-trimethoxy-9-methyl-3,4a-dihydro-2H-indeno[1,2-b][1,4]dioxine?
The InChIKey is YYEZHDLXPHUGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-8-9-7-10(16-2)13(17-3)14(18-4)11(9)15-12(8)19-5-6-20-15/h7,15H,5-6H2,1-4H3.
What are the key properties of 5,6,7-trimethoxy-9-methyl-3,4a-dihydro-2H-indeno[1,2-b][1,4]dioxine?
5,6,7-trimethoxy-9-methyl-3,4a-dihydro-2H-indeno[1,2-b][1,4]dioxine has a molecular weight of 278.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-9-methyl-3,4a-dihydro-2H-indeno[1,2-b][1,4]dioxine is sourced from PubChem (CID 12008921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).