1-tert-butyl-6-(4-methoxyphenyl)indole

C19H21NO — CID 139382452

IUPAC1-tert-butyl-6-(4-methoxyphenyl)indole
SMILESCOc1ccc(-c2ccc3ccn(C(C)(C)C)c3c2)cc1
InChIInChI=1S/C19H21NO/c1-19(2,3)20-12-11-15-5-6-16(13-18(15)20)14-7-9-17(21-4)10-8-14/h5-13H,1-4H3
InChIKeyXYNNQJJAIAMMDM-UHFFFAOYSA-N
MW279.38 g/mol
LogP5.07
Rot. Bonds2

About 1-tert-butyl-6-(4-methoxyphenyl)indole

1-tert-butyl-6-(4-methoxyphenyl)indole (PubChem CID 139382452) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-tert-butyl-6-(4-methoxyphenyl)indole.

Molecular Properties

Compound Name1-tert-butyl-6-(4-methoxyphenyl)indole
PubChem CID139382452
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-tert-butyl-6-(4-methoxyphenyl)indole
SMILESCOc1ccc(-c2ccc3ccn(C(C)(C)C)c3c2)cc1
InChIInChI=1S/C19H21NO/c1-19(2,3)20-12-11-15-5-6-16(13-18(15)20)14-7-9-17(21-4)10-8-14/h5-13H,1-4H3
InChIKeyXYNNQJJAIAMMDM-UHFFFAOYSA-N
XLogP5.07
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.38
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-methoxyphenyl)-1-propylindole
CID 91452134
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 101478902
2-(4-methoxyphenyl)-6-methylnaphthalene
CID 15099897
6-methoxyindol-1-amine
CID 11816030
2-methoxy-6-phenylnaphthalene
CID 11253308
1-ditert-butylphosphoryl-6-(3,4-dimethoxyphenyl)indole
CID 134851267
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
2-tert-butyl-4-(4-methoxyphenyl)phenol
CID 135087141
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-(4-methoxyphenyl)indole?
The IUPAC name of 1-tert-butyl-6-(4-methoxyphenyl)indole (CID 139382452) is 1-tert-butyl-6-(4-methoxyphenyl)indole.
What is the SMILES notation for 1-tert-butyl-6-(4-methoxyphenyl)indole?
The canonical SMILES for 1-tert-butyl-6-(4-methoxyphenyl)indole is COc1ccc(-c2ccc3ccn(C(C)(C)C)c3c2)cc1.
What is the InChIKey of 1-tert-butyl-6-(4-methoxyphenyl)indole?
The InChIKey is XYNNQJJAIAMMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-19(2,3)20-12-11-15-5-6-16(13-18(15)20)14-7-9-17(21-4)10-8-14/h5-13H,1-4H3.
What are the key properties of 1-tert-butyl-6-(4-methoxyphenyl)indole?
1-tert-butyl-6-(4-methoxyphenyl)indole has a molecular weight of 279.38 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-(4-methoxyphenyl)indole is sourced from PubChem (CID 139382452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).