6-butoxy-2-methyl-1H-indole

C13H17NO — CID 154112736

IUPAC6-butoxy-2-methyl-1H-indole
SMILESCCCCOc1ccc2cc(C)[nH]c2c1
InChIInChI=1S/C13H17NO/c1-3-4-7-15-12-6-5-11-8-10(2)14-13(11)9-12/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyDWTNIAVGYUXRSF-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.66
Rot. Bonds4

About 6-butoxy-2-methyl-1H-indole

6-butoxy-2-methyl-1H-indole (PubChem CID 154112736) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 6-butoxy-2-methyl-1H-indole.

Molecular Properties

Compound Name6-butoxy-2-methyl-1H-indole
PubChem CID154112736
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name6-butoxy-2-methyl-1H-indole
SMILESCCCCOc1ccc2cc(C)[nH]c2c1
InChIInChI=1S/C13H17NO/c1-3-4-7-15-12-6-5-11-8-10(2)14-13(11)9-12/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyDWTNIAVGYUXRSF-UHFFFAOYSA-N
XLogP3.66
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-butoxy-2-methyl-1H-indole?
The IUPAC name of 6-butoxy-2-methyl-1H-indole (CID 154112736) is 6-butoxy-2-methyl-1H-indole.
What is the SMILES notation for 6-butoxy-2-methyl-1H-indole?
The canonical SMILES for 6-butoxy-2-methyl-1H-indole is CCCCOc1ccc2cc(C)[nH]c2c1.
What is the InChIKey of 6-butoxy-2-methyl-1H-indole?
The InChIKey is DWTNIAVGYUXRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-4-7-15-12-6-5-11-8-10(2)14-13(11)9-12/h5-6,8-9,14H,3-4,7H2,1-2H3.
What are the key properties of 6-butoxy-2-methyl-1H-indole?
6-butoxy-2-methyl-1H-indole has a molecular weight of 203.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-2-methyl-1H-indole is sourced from PubChem (CID 154112736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).