6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole

C16H17NO2 — CID 116698516

IUPAC6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole
SMILESCOc1cccc(-c2ccc3c(c2)NCC3)c1OC
InChIInChI=1S/C16H17NO2/c1-18-15-5-3-4-13(16(15)19-2)12-7-6-11-8-9-17-14(11)10-12/h3-7,10,17H,8-9H2,1-2H3
InChIKeyLFDQZDAUAIYMDJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.34
Rot. Bonds3

About 6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole

6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole (PubChem CID 116698516) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole
PubChem CID116698516
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole
SMILESCOc1cccc(-c2ccc3c(c2)NCC3)c1OC
InChIInChI=1S/C16H17NO2/c1-18-15-5-3-4-13(16(15)19-2)12-7-6-11-8-9-17-14(11)10-12/h3-7,10,17H,8-9H2,1-2H3
InChIKeyLFDQZDAUAIYMDJ-UHFFFAOYSA-N
XLogP3.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole (CID 116698516) is 6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole is COc1cccc(-c2ccc3c(c2)NCC3)c1OC.
What is the InChIKey of 6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole?
The InChIKey is LFDQZDAUAIYMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-18-15-5-3-4-13(16(15)19-2)12-7-6-11-8-9-17-14(11)10-12/h3-7,10,17H,8-9H2,1-2H3.
What are the key properties of 6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole?
6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole has a molecular weight of 255.32 g/mol, XLogP of 3.34, 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)-2,3-dihydro-1H-indole is sourced from PubChem (CID 116698516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).