6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one

C16H15NO3 — CID 90833964

IUPAC6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one
SMILESCOc1cccc(-c2ccc3c(c2)NC(=O)C3)c1OC
InChIInChI=1S/C16H15NO3/c1-19-14-5-3-4-12(16(14)20-2)10-6-7-11-9-15(18)17-13(11)8-10/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyKPCSUCZKJGMNNH-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.87
Rot. Bonds3

About 6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one

6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one (PubChem CID 90833964) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one
PubChem CID90833964
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one
SMILESCOc1cccc(-c2ccc3c(c2)NC(=O)C3)c1OC
InChIInChI=1S/C16H15NO3/c1-19-14-5-3-4-12(16(14)20-2)10-6-7-11-9-15(18)17-13(11)8-10/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyKPCSUCZKJGMNNH-UHFFFAOYSA-N
XLogP2.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole
CID 116698516
6-(3,5-dimethoxyphenyl)-1,3-dihydroindol-2-one
CID 146673871
6-phenyl-1,3-dihydroindol-2-one
CID 10536384
6-(2,3-dimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82784751
1,2-dimethoxy-3-(3-methoxyphenyl)benzene
CID 57121160
6-(4-hydroxyphenyl)-1,3-dihydroindol-2-one
CID 68878128
10-methoxy-5,7-dihydrobenzo[d][1]benzazepin-6-one
CID 102201703
2-chloro-5-(2,3-dimethoxyphenyl)phenol
CID 83130708
4-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 15011206
5-(2-chloro-3-cyclopropyloxyphenyl)-1,3-dihydroindol-2-one
CID 122655643
6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid
CID 175358460
1-[3,4-bis(trifluoromethoxy)phenyl]-2,3-dimethoxybenzene
CID 91307892

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one (CID 90833964) is 6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one is COc1cccc(-c2ccc3c(c2)NC(=O)C3)c1OC.
What is the InChIKey of 6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one?
The InChIKey is KPCSUCZKJGMNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-19-14-5-3-4-12(16(14)20-2)10-6-7-11-9-15(18)17-13(11)8-10/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one?
6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 90833964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).