3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one

C18H19NO4 — CID 43912315

IUPAC3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCOc1cc(OC)c(OC)cc1CC1C(=O)Nc2ccccc21
InChIInChI=1S/C18H19NO4/c1-21-15-10-17(23-3)16(22-2)9-11(15)8-13-12-6-4-5-7-14(12)19-18(13)20/h4-7,9-10,13H,8H2,1-3H3,(H,19,20)
InChIKeyYEIMZWPASKCWHW-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.99
Rot. Bonds5

About 3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one

3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 43912315) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID43912315
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCOc1cc(OC)c(OC)cc1CC1C(=O)Nc2ccccc21
InChIInChI=1S/C18H19NO4/c1-21-15-10-17(23-3)16(22-2)9-11(15)8-13-12-6-4-5-7-14(12)19-18(13)20/h4-7,9-10,13H,8H2,1-3H3,(H,19,20)
InChIKeyYEIMZWPASKCWHW-UHFFFAOYSA-N
XLogP2.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one (CID 43912315) is 3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one is COc1cc(OC)c(OC)cc1CC1C(=O)Nc2ccccc21.
What is the InChIKey of 3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is YEIMZWPASKCWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-21-15-10-17(23-3)16(22-2)9-11(15)8-13-12-6-4-5-7-14(12)19-18(13)20/h4-7,9-10,13H,8H2,1-3H3,(H,19,20).
What are the key properties of 3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 313.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43912315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).