4,5,6-trimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydroinden-1-one

C21H24O7 — CID 11538311

IUPAC4,5,6-trimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc(C2CC(=O)c3cc(OC)c(OC)c(OC)c32)c(OC)c1OC
InChIInChI=1S/C21H24O7/c1-23-15-8-7-11(18(25-3)19(15)26-4)12-9-14(22)13-10-16(24-2)20(27-5)21(28-6)17(12)13/h7-8,10,12H,9H2,1-6H3
InChIKeyJELOQNSSFIIARN-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.46
Rot. Bonds7

About 4,5,6-trimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydroinden-1-one

4,5,6-trimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydroinden-1-one (PubChem CID 11538311) has the molecular formula C21H24O7 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4,5,6-trimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4,5,6-trimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydroinden-1-one
PubChem CID11538311
Molecular FormulaC21H24O7
Molecular Weight388.42 g/mol
Exact Mass388.15
IUPAC Name4,5,6-trimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc(C2CC(=O)c3cc(OC)c(OC)c(OC)c32)c(OC)c1OC
InChIInChI=1S/C21H24O7/c1-23-15-8-7-11(18(25-3)19(15)26-4)12-9-14(22)13-10-16(24-2)20(27-5)21(28-6)17(12)13/h7-8,10,12H,9H2,1-6H3
InChIKeyJELOQNSSFIIARN-UHFFFAOYSA-N
XLogP3.46
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydroinden-1-one?
The IUPAC name of 4,5,6-trimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydroinden-1-one (CID 11538311) is 4,5,6-trimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4,5,6-trimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 4,5,6-trimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydroinden-1-one is COc1ccc(C2CC(=O)c3cc(OC)c(OC)c(OC)c32)c(OC)c1OC.
What is the InChIKey of 4,5,6-trimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydroinden-1-one?
The InChIKey is JELOQNSSFIIARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O7/c1-23-15-8-7-11(18(25-3)19(15)26-4)12-9-14(22)13-10-16(24-2)20(27-5)21(28-6)17(12)13/h7-8,10,12H,9H2,1-6H3.
What are the key properties of 4,5,6-trimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydroinden-1-one?
4,5,6-trimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydroinden-1-one has a molecular weight of 388.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 11538311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).