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

C19H20O5 — CID 44568001

IUPAC4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one
SMILESCOc1cccc(C2CC(=O)c3cc(OC)c(OC)c(OC)c32)c1
InChIInChI=1S/C19H20O5/c1-21-12-7-5-6-11(8-12)13-9-15(20)14-10-16(22-2)18(23-3)19(24-4)17(13)14/h5-8,10,13H,9H2,1-4H3
InChIKeyYKCIDBZNKNPMQE-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.44
Rot. Bonds5

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

4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one (PubChem CID 44568001) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is 4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one
PubChem CID44568001
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one
SMILESCOc1cccc(C2CC(=O)c3cc(OC)c(OC)c(OC)c32)c1
InChIInChI=1S/C19H20O5/c1-21-12-7-5-6-11(8-12)13-9-15(20)14-10-16(22-2)18(23-3)19(24-4)17(13)14/h5-8,10,13H,9H2,1-4H3
InChIKeyYKCIDBZNKNPMQE-UHFFFAOYSA-N
XLogP3.44
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one?
The IUPAC name of 4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one (CID 44568001) is 4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one is COc1cccc(C2CC(=O)c3cc(OC)c(OC)c(OC)c32)c1.
What is the InChIKey of 4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one?
The InChIKey is YKCIDBZNKNPMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-21-12-7-5-6-11(8-12)13-9-15(20)14-10-16(22-2)18(23-3)19(24-4)17(13)14/h5-8,10,13H,9H2,1-4H3.
What are the key properties of 4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one?
4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one has a molecular weight of 328.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 44568001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).