2-butyl-1-(2-methoxyphenyl)indole

C19H21NO — CID 86031252

IUPAC2-butyl-1-(2-methoxyphenyl)indole
SMILESCCCCc1cc2ccccc2n1-c1ccccc1OC
InChIInChI=1S/C19H21NO/c1-3-4-10-16-14-15-9-5-6-11-17(15)20(16)18-12-7-8-13-19(18)21-2/h5-9,11-14H,3-4,10H2,1-2H3
InChIKeyRZQDKWZUIVOTPU-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.98
Rot. Bonds5

About 2-butyl-1-(2-methoxyphenyl)indole

2-butyl-1-(2-methoxyphenyl)indole (PubChem CID 86031252) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-butyl-1-(2-methoxyphenyl)indole.

Molecular Properties

Compound Name2-butyl-1-(2-methoxyphenyl)indole
PubChem CID86031252
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2-butyl-1-(2-methoxyphenyl)indole
SMILESCCCCc1cc2ccccc2n1-c1ccccc1OC
InChIInChI=1S/C19H21NO/c1-3-4-10-16-14-15-9-5-6-11-17(15)20(16)18-12-7-8-13-19(18)21-2/h5-9,11-14H,3-4,10H2,1-2H3
InChIKeyRZQDKWZUIVOTPU-UHFFFAOYSA-N
XLogP4.98
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-methyl-2-propylindole
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3-butyl-2-thiophen-2-ylpyrrolo[1,2-a]indol-1-one
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CID 82361800
2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline
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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(2-methoxyphenyl)indole?
The IUPAC name of 2-butyl-1-(2-methoxyphenyl)indole (CID 86031252) is 2-butyl-1-(2-methoxyphenyl)indole.
What is the SMILES notation for 2-butyl-1-(2-methoxyphenyl)indole?
The canonical SMILES for 2-butyl-1-(2-methoxyphenyl)indole is CCCCc1cc2ccccc2n1-c1ccccc1OC.
What is the InChIKey of 2-butyl-1-(2-methoxyphenyl)indole?
The InChIKey is RZQDKWZUIVOTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-4-10-16-14-15-9-5-6-11-17(15)20(16)18-12-7-8-13-19(18)21-2/h5-9,11-14H,3-4,10H2,1-2H3.
What are the key properties of 2-butyl-1-(2-methoxyphenyl)indole?
2-butyl-1-(2-methoxyphenyl)indole has a molecular weight of 279.38 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(2-methoxyphenyl)indole is sourced from PubChem (CID 86031252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).