4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole

C19H20N2O — CID 159600634

IUPAC4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole
SMILESCOc1cccc2[nH]c(C)cc12.Cc1cc2ccccc2[nH]1
InChIInChI=1S/C10H11NO.C9H9N/c1-7-6-8-9(11-7)4-3-5-10(8)12-2;1-7-6-8-4-2-3-5-9(8)10-7/h3-6,11H,1-2H3;2-6,10H,1H3
InChIKeyMLKWQOYIQPXACQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.96
Rot. Bonds1

About 4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole

4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole (PubChem CID 159600634) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole.

Molecular Properties

Compound Name4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole
PubChem CID159600634
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole
SMILESCOc1cccc2[nH]c(C)cc12.Cc1cc2ccccc2[nH]1
InChIInChI=1S/C10H11NO.C9H9N/c1-7-6-8-9(11-7)4-3-5-10(8)12-2;1-7-6-8-4-2-3-5-9(8)10-7/h3-6,11H,1-2H3;2-6,10H,1H3
InChIKeyMLKWQOYIQPXACQ-UHFFFAOYSA-N
XLogP4.96
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1H-indole;hydrofluoride
CID 163912177
benzene;2-methyl-1H-indole
CID 158804583
1H-indol-2-yl-(4-methoxy-1H-indol-2-yl)methanone
CID 11543838
ethane;7-methoxy-2-methyl-1H-indole
CID 143863749
2-fluoro-4-methoxy-1H-indole
CID 174907936
ethane;4-ethoxy-2-methyl-1H-indole
CID 171088293
2-methyl-1H-indole;oxalic acid
CID 161360574
4-methoxy-2-(4-methoxyphenyl)-1H-indole
CID 159214029
methane;2-methyl-1H-indole;1,2,3,5-tetramethylbenzene
CID 159710668
2,4-dimethyl-1H-indole;ethane
CID 91303970
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
N-hydroperoxy-4-methoxy-1H-indol-2-amine
CID 142093209

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole?
The IUPAC name of 4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole (CID 159600634) is 4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole.
What is the SMILES notation for 4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole?
The canonical SMILES for 4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole is COc1cccc2[nH]c(C)cc12.Cc1cc2ccccc2[nH]1.
What is the InChIKey of 4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole?
The InChIKey is MLKWQOYIQPXACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C9H9N/c1-7-6-8-9(11-7)4-3-5-10(8)12-2;1-7-6-8-4-2-3-5-9(8)10-7/h3-6,11H,1-2H3;2-6,10H,1H3.
What are the key properties of 4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole?
4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole has a molecular weight of 292.38 g/mol, XLogP of 4.96, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole is sourced from PubChem (CID 159600634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).