6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole

C17H19NO3 — CID 116698533

IUPAC6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole
SMILESCOc1cc(OC)c(-c2ccc3c(c2)NCC3)c(OC)c1
InChIInChI=1S/C17H19NO3/c1-19-13-9-15(20-2)17(16(10-13)21-3)12-5-4-11-6-7-18-14(11)8-12/h4-5,8-10,18H,6-7H2,1-3H3
InChIKeyGDFVTQXIMQPSGU-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.35
Rot. Bonds4

About 6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole

6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole (PubChem CID 116698533) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole
PubChem CID116698533
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole
SMILESCOc1cc(OC)c(-c2ccc3c(c2)NCC3)c(OC)c1
InChIInChI=1S/C17H19NO3/c1-19-13-9-15(20-2)17(16(10-13)21-3)12-5-4-11-6-7-18-14(11)8-12/h4-5,8-10,18H,6-7H2,1-3H3
InChIKeyGDFVTQXIMQPSGU-UHFFFAOYSA-N
XLogP3.35
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224636
6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole
CID 116698516
7-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 106781897
7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224481
6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole
CID 59435381
5-methoxy-2,3-dihydro-1H-indol-6-amine
CID 72710379
7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224324
5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 62502645
6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole
CID 116698427
6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole
CID 116698615
2-methyl-5-(2,4,6-trimethoxyphenyl)aniline
CID 61025430
6,8-dimethoxy-1,2,3,5-tetrahydro-3-benzazepin-4-one
CID 121016424

Frequently Asked Questions

What is the IUPAC name of 6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole (CID 116698533) is 6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole is COc1cc(OC)c(-c2ccc3c(c2)NCC3)c(OC)c1.
What is the InChIKey of 6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole?
The InChIKey is GDFVTQXIMQPSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-19-13-9-15(20-2)17(16(10-13)21-3)12-5-4-11-6-7-18-14(11)8-12/h4-5,8-10,18H,6-7H2,1-3H3.
What are the key properties of 6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole?
6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole has a molecular weight of 285.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 116698533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).