1-heptyl-4-methoxyindole

C16H23NO — CID 83174164

IUPAC1-heptyl-4-methoxyindole
SMILESCCCCCCCn1ccc2c(OC)cccc21
InChIInChI=1S/C16H23NO/c1-3-4-5-6-7-12-17-13-11-14-15(17)9-8-10-16(14)18-2/h8-11,13H,3-7,12H2,1-2H3
InChIKeyGGASYHGFBXWGDS-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.62
Rot. Bonds7

About 1-heptyl-4-methoxyindole

1-heptyl-4-methoxyindole (PubChem CID 83174164) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-heptyl-4-methoxyindole.

Molecular Properties

Compound Name1-heptyl-4-methoxyindole
PubChem CID83174164
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-heptyl-4-methoxyindole
SMILESCCCCCCCn1ccc2c(OC)cccc21
InChIInChI=1S/C16H23NO/c1-3-4-5-6-7-12-17-13-11-14-15(17)9-8-10-16(14)18-2/h8-11,13H,3-7,12H2,1-2H3
InChIKeyGGASYHGFBXWGDS-UHFFFAOYSA-N
XLogP4.62
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine
CID 83164895
N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine
CID 83162754
4-methoxy-1-(3-phenoxypropyl)indole
CID 83165816
4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 83162352
2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine
CID 83173897
4-methoxy-1-(2-pyrazol-1-ylethyl)indole
CID 83174518
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
6,18-di(undecyl)-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783653
6,18-di(tridecyl)-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783644
6,18-diheptyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783572

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-4-methoxyindole?
The IUPAC name of 1-heptyl-4-methoxyindole (CID 83174164) is 1-heptyl-4-methoxyindole.
What is the SMILES notation for 1-heptyl-4-methoxyindole?
The canonical SMILES for 1-heptyl-4-methoxyindole is CCCCCCCn1ccc2c(OC)cccc21.
What is the InChIKey of 1-heptyl-4-methoxyindole?
The InChIKey is GGASYHGFBXWGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-4-5-6-7-12-17-13-11-14-15(17)9-8-10-16(14)18-2/h8-11,13H,3-7,12H2,1-2H3.
What are the key properties of 1-heptyl-4-methoxyindole?
1-heptyl-4-methoxyindole has a molecular weight of 245.37 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-4-methoxyindole is sourced from PubChem (CID 83174164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).