1-benzyl-4-methoxy-2,3-dimethylindole

C18H19NO — CID 102087023

IUPAC1-benzyl-4-methoxy-2,3-dimethylindole
SMILESCOc1cccc2c1c(C)c(C)n2Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-13-14(2)19(12-15-8-5-4-6-9-15)16-10-7-11-17(20-3)18(13)16/h4-11H,12H2,1-3H3
InChIKeyXFSZHERHLHPDOJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.32
Rot. Bonds3

About 1-benzyl-4-methoxy-2,3-dimethylindole

1-benzyl-4-methoxy-2,3-dimethylindole (PubChem CID 102087023) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-benzyl-4-methoxy-2,3-dimethylindole.

Molecular Properties

Compound Name1-benzyl-4-methoxy-2,3-dimethylindole
PubChem CID102087023
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-benzyl-4-methoxy-2,3-dimethylindole
SMILESCOc1cccc2c1c(C)c(C)n2Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-13-14(2)19(12-15-8-5-4-6-9-15)16-10-7-11-17(20-3)18(13)16/h4-11H,12H2,1-3H3
InChIKeyXFSZHERHLHPDOJ-UHFFFAOYSA-N
XLogP4.32
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzyl-2,3-dimethylindol-4-yl)oxy-4-methylpentanoic acid
CID 143459761
9-benzyl-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 22739584
methyl 1-benzyl-4-(2-methoxy-2-oxoethoxy)-2-methylindole-3-carboxylate
CID 58895959
1-benzyl-4-methoxy-2-propylindole
CID 16741747
1-benzyl-4-methoxyindole-3-carboxylic acid
CID 23073203
1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one
CID 54710992
1-benzyl-3-ethenyl-2-methylindol-4-ol
CID 174463230
2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid
CID 143459807
4-amino-1-benzyl-2-methylindole-3-carbaldehyde
CID 89261415
2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide
CID 147162606
2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide
CID 10597071
2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide
CID 59170411

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methoxy-2,3-dimethylindole?
The IUPAC name of 1-benzyl-4-methoxy-2,3-dimethylindole (CID 102087023) is 1-benzyl-4-methoxy-2,3-dimethylindole.
What is the SMILES notation for 1-benzyl-4-methoxy-2,3-dimethylindole?
The canonical SMILES for 1-benzyl-4-methoxy-2,3-dimethylindole is COc1cccc2c1c(C)c(C)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-methoxy-2,3-dimethylindole?
The InChIKey is XFSZHERHLHPDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-14(2)19(12-15-8-5-4-6-9-15)16-10-7-11-17(20-3)18(13)16/h4-11H,12H2,1-3H3.
What are the key properties of 1-benzyl-4-methoxy-2,3-dimethylindole?
1-benzyl-4-methoxy-2,3-dimethylindole has a molecular weight of 265.36 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methoxy-2,3-dimethylindole is sourced from PubChem (CID 102087023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).