2-(2-methoxy-5-methylphenyl)-3,3-dimethylindole

C18H19NO — CID 828259

IUPAC2-(2-methoxy-5-methylphenyl)-3,3-dimethylindole
SMILESCOc1ccc(C)cc1C1=Nc2ccccc2C1(C)C
InChIInChI=1S/C18H19NO/c1-12-9-10-16(20-4)13(11-12)17-18(2,3)14-7-5-6-8-15(14)19-17/h5-11H,1-4H3
InChIKeyRWCDZKHBJGXNQH-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.42
Rot. Bonds2

About 2-(2-methoxy-5-methylphenyl)-3,3-dimethylindole

2-(2-methoxy-5-methylphenyl)-3,3-dimethylindole (PubChem CID 828259) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-3,3-dimethylindole.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-3,3-dimethylindole
PubChem CID828259
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(2-methoxy-5-methylphenyl)-3,3-dimethylindole
SMILESCOc1ccc(C)cc1C1=Nc2ccccc2C1(C)C
InChIInChI=1S/C18H19NO/c1-12-9-10-16(20-4)13(11-12)17-18(2,3)14-7-5-6-8-15(14)19-17/h5-11H,1-4H3
InChIKeyRWCDZKHBJGXNQH-UHFFFAOYSA-N
XLogP4.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-3,3-dimethylindole?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-3,3-dimethylindole (CID 828259) is 2-(2-methoxy-5-methylphenyl)-3,3-dimethylindole.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-3,3-dimethylindole?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-3,3-dimethylindole is COc1ccc(C)cc1C1=Nc2ccccc2C1(C)C.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-3,3-dimethylindole?
The InChIKey is RWCDZKHBJGXNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12-9-10-16(20-4)13(11-12)17-18(2,3)14-7-5-6-8-15(14)19-17/h5-11H,1-4H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-3,3-dimethylindole?
2-(2-methoxy-5-methylphenyl)-3,3-dimethylindole has a molecular weight of 265.36 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-3,3-dimethylindole is sourced from PubChem (CID 828259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).