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

C21H24O7 — CID 44568036

IUPAC4,5,6-trimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydroinden-1-one
SMILESCOc1cc(OC)c(C2CC(=O)c3cc(OC)c(OC)c(OC)c32)c(OC)c1
InChIInChI=1S/C21H24O7/c1-23-11-7-15(24-2)19(16(8-11)25-3)13-9-14(22)12-10-17(26-4)20(27-5)21(28-6)18(12)13/h7-8,10,13H,9H2,1-6H3
InChIKeySDTXSAFDNHXCCL-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.46
Rot. Bonds7

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

4,5,6-trimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydroinden-1-one (PubChem CID 44568036) has the molecular formula C21H24O7 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4,5,6-trimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4,5,6-trimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydroinden-1-one
PubChem CID44568036
Molecular FormulaC21H24O7
Molecular Weight388.42 g/mol
Exact Mass388.15
IUPAC Name4,5,6-trimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydroinden-1-one
SMILESCOc1cc(OC)c(C2CC(=O)c3cc(OC)c(OC)c(OC)c32)c(OC)c1
InChIInChI=1S/C21H24O7/c1-23-11-7-15(24-2)19(16(8-11)25-3)13-9-14(22)12-10-17(26-4)20(27-5)21(28-6)18(12)13/h7-8,10,13H,9H2,1-6H3
InChIKeySDTXSAFDNHXCCL-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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Related Compounds

Bifendate
CID 108213
Licochalcone B
CID 5318999
Cabreuvin
CID 628528
2',4'-Dihydroxy-3,4-dimethoxychalcone
CID 5953849
5,6-Dimethoxy-1-indanone
CID 75018
Licoagrochalcone C
CID 5318990
7,8-Dimethoxyflavone
CID 689014
2,3,4,6-tetramethoxy-5H-benzo[7]annulen-5-one
CID 234873
5,7,3',4',5'-Pentamethoxyflavone
CID 493376
2'-Hydroxy-3,4,4',6'-Tetramethoxychalcone
CID 5373259
2,3,4,2',4',6'-Hexamethoxychalcone
CID 10862032
1-(3,4,5-Trimethoxyphenyl)-1-propanone
CID 200101

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydroinden-1-one?
The IUPAC name of 4,5,6-trimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydroinden-1-one (CID 44568036) is 4,5,6-trimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4,5,6-trimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 4,5,6-trimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydroinden-1-one is COc1cc(OC)c(C2CC(=O)c3cc(OC)c(OC)c(OC)c32)c(OC)c1.
What is the InChIKey of 4,5,6-trimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydroinden-1-one?
The InChIKey is SDTXSAFDNHXCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O7/c1-23-11-7-15(24-2)19(16(8-11)25-3)13-9-14(22)12-10-17(26-4)20(27-5)21(28-6)18(12)13/h7-8,10,13H,9H2,1-6H3.
What are the key properties of 4,5,6-trimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydroinden-1-one?
4,5,6-trimethoxy-3-(2,4,6-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-(2,4,6-trimethoxyphenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 44568036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).