5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3H-indol-2-one

C19H21NO5 — CID 71727198

IUPAC5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc2c(c1)CC(=O)N2Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H21NO5/c1-22-14-5-6-15-13(9-14)10-18(21)20(15)11-12-7-16(23-2)19(25-4)17(8-12)24-3/h5-9H,10-11H2,1-4H3
InChIKeyGHCWUQVVTAGVSI-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.81
Rot. Bonds6

About 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3H-indol-2-one

5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3H-indol-2-one (PubChem CID 71727198) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3H-indol-2-one
PubChem CID71727198
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc2c(c1)CC(=O)N2Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H21NO5/c1-22-14-5-6-15-13(9-14)10-18(21)20(15)11-12-7-16(23-2)19(25-4)17(8-12)24-3/h5-9H,10-11H2,1-4H3
InChIKeyGHCWUQVVTAGVSI-UHFFFAOYSA-N
XLogP2.81
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3H-indol-2-one (CID 71727198) is 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3H-indol-2-one is COc1ccc2c(c1)CC(=O)N2Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3H-indol-2-one?
The InChIKey is GHCWUQVVTAGVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-22-14-5-6-15-13(9-14)10-18(21)20(15)11-12-7-16(23-2)19(25-4)17(8-12)24-3/h5-9H,10-11H2,1-4H3.
What are the key properties of 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3H-indol-2-one?
5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3H-indol-2-one has a molecular weight of 343.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 71727198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).