6-methoxy-3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indole

C21H25NO — CID 123465876

IUPAC6-methoxy-3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indole
SMILESCOc1ccc2c(C(C)(c3ccc(C)cc3)C(C)C)c[nH]c2c1
InChIInChI=1S/C21H25NO/c1-14(2)21(4,16-8-6-15(3)7-9-16)19-13-22-20-12-17(23-5)10-11-18(19)20/h6-14,22H,1-5H3
InChIKeyAAODATXZSWLAMO-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.45
Rot. Bonds4

About 6-methoxy-3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indole

6-methoxy-3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indole (PubChem CID 123465876) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 6-methoxy-3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indole.

Molecular Properties

Compound Name6-methoxy-3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indole
PubChem CID123465876
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name6-methoxy-3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indole
SMILESCOc1ccc2c(C(C)(c3ccc(C)cc3)C(C)C)c[nH]c2c1
InChIInChI=1S/C21H25NO/c1-14(2)21(4,16-8-6-15(3)7-9-16)19-13-22-20-12-17(23-5)10-11-18(19)20/h6-14,22H,1-5H3
InChIKeyAAODATXZSWLAMO-UHFFFAOYSA-N
XLogP5.45
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indole?
The IUPAC name of 6-methoxy-3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indole (CID 123465876) is 6-methoxy-3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indole.
What is the SMILES notation for 6-methoxy-3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indole?
The canonical SMILES for 6-methoxy-3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indole is COc1ccc2c(C(C)(c3ccc(C)cc3)C(C)C)c[nH]c2c1.
What is the InChIKey of 6-methoxy-3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indole?
The InChIKey is AAODATXZSWLAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-14(2)21(4,16-8-6-15(3)7-9-16)19-13-22-20-12-17(23-5)10-11-18(19)20/h6-14,22H,1-5H3.
What are the key properties of 6-methoxy-3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indole?
6-methoxy-3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indole has a molecular weight of 307.44 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indole is sourced from PubChem (CID 123465876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).