5,6,7-trimethoxy-1,2-dimethylindole

C13H17NO3 — CID 141308124

IUPAC5,6,7-trimethoxy-1,2-dimethylindole
SMILESCOc1cc2cc(C)n(C)c2c(OC)c1OC
InChIInChI=1S/C13H17NO3/c1-8-6-9-7-10(15-3)12(16-4)13(17-5)11(9)14(8)2/h6-7H,1-5H3
InChIKeyBSAKWKOEWXHGKN-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.51
Rot. Bonds3

About 5,6,7-trimethoxy-1,2-dimethylindole

5,6,7-trimethoxy-1,2-dimethylindole (PubChem CID 141308124) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 5,6,7-trimethoxy-1,2-dimethylindole.

Molecular Properties

Compound Name5,6,7-trimethoxy-1,2-dimethylindole
PubChem CID141308124
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name5,6,7-trimethoxy-1,2-dimethylindole
SMILESCOc1cc2cc(C)n(C)c2c(OC)c1OC
InChIInChI=1S/C13H17NO3/c1-8-6-9-7-10(15-3)12(16-4)13(17-5)11(9)14(8)2/h6-7H,1-5H3
InChIKeyBSAKWKOEWXHGKN-UHFFFAOYSA-N
XLogP2.51
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride
CID 10802949
7-methoxy-1,2-dimethylindole
CID 82279889
5,6,7-trimethoxy-1-methylindole
CID 141308126
6,7-dimethoxy-2,3-dimethylisoquinolin-1-one
CID 5257820
6-bromo-5-methoxy-1,2-dimethylindole
CID 933997
(2S)-3-methyl-2-[(5,6,7-trimethoxy-1-methylindole-2-carbonyl)amino]butanoate
CID 7070047
(2S,3R)-3-methyl-2-[(5,6,7-trimethoxy-1-methylindole-2-carbonyl)amino]pentanoic acid
CID 7070103
2,3,6,7-tetramethoxy-1-methylnaphthalene
CID 163473055
1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
CID 20758550
methane;1,2,3,4-tetramethoxy-5-methylbenzene
CID 157228165
2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 43394694
4,5,6-trimethoxy-2-benzothiophene
CID 173173283

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-1,2-dimethylindole?
The IUPAC name of 5,6,7-trimethoxy-1,2-dimethylindole (CID 141308124) is 5,6,7-trimethoxy-1,2-dimethylindole.
What is the SMILES notation for 5,6,7-trimethoxy-1,2-dimethylindole?
The canonical SMILES for 5,6,7-trimethoxy-1,2-dimethylindole is COc1cc2cc(C)n(C)c2c(OC)c1OC.
What is the InChIKey of 5,6,7-trimethoxy-1,2-dimethylindole?
The InChIKey is BSAKWKOEWXHGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-6-9-7-10(15-3)12(16-4)13(17-5)11(9)14(8)2/h6-7H,1-5H3.
What are the key properties of 5,6,7-trimethoxy-1,2-dimethylindole?
5,6,7-trimethoxy-1,2-dimethylindole has a molecular weight of 235.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-1,2-dimethylindole is sourced from PubChem (CID 141308124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).