8-(1H-indol-2-yl)octanoic acid

C16H21NO2 — CID 54343320

IUPAC8-(1H-indol-2-yl)octanoic acid
SMILESO=C(O)CCCCCCCc1cc2ccccc2[nH]1
InChIInChI=1S/C16H21NO2/c18-16(19)11-5-3-1-2-4-9-14-12-13-8-6-7-10-15(13)17-14/h6-8,10,12,17H,1-5,9,11H2,(H,18,19)
InChIKeyUANCGZYFFONKMA-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.14
Rot. Bonds8

About 8-(1H-indol-2-yl)octanoic acid

8-(1H-indol-2-yl)octanoic acid (PubChem CID 54343320) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 8-(1H-indol-2-yl)octanoic acid.

Molecular Properties

Compound Name8-(1H-indol-2-yl)octanoic acid
PubChem CID54343320
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name8-(1H-indol-2-yl)octanoic acid
SMILESO=C(O)CCCCCCCc1cc2ccccc2[nH]1
InChIInChI=1S/C16H21NO2/c18-16(19)11-5-3-1-2-4-9-14-12-13-8-6-7-10-15(13)17-14/h6-8,10,12,17H,1-5,9,11H2,(H,18,19)
InChIKeyUANCGZYFFONKMA-UHFFFAOYSA-N
XLogP4.14
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-indol-2-yl)butanoic acid;1-methylcyclopropene
CID 174808423
disodium bis(4-(1H-indol-2-yl)butanoate)
CID 141404952
4-(1H-indol-2-yl)butan-2-one
CID 10954278
2-hexyl-1H-indole
CID 14299246
2-heptyl-1H-indole
CID 3719004
5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide
CID 11673936
4-(1H-indol-2-yl)butylboronic acid
CID 67682562
3-(1H-indol-2-yl)-2-methylpropanoic acid
CID 22476899
2-(3-chloropropyl)-1H-indole
CID 13271043
ethanol;2-(1H-indol-2-yl)acetic acid
CID 157082351
1H-indol-2-ylmethylcarbamic acid
CID 68691362
2-(1H-indol-2-yl)-1-phenylethanol
CID 102199311

Frequently Asked Questions

What is the IUPAC name of 8-(1H-indol-2-yl)octanoic acid?
The IUPAC name of 8-(1H-indol-2-yl)octanoic acid (CID 54343320) is 8-(1H-indol-2-yl)octanoic acid.
What is the SMILES notation for 8-(1H-indol-2-yl)octanoic acid?
The canonical SMILES for 8-(1H-indol-2-yl)octanoic acid is O=C(O)CCCCCCCc1cc2ccccc2[nH]1.
What is the InChIKey of 8-(1H-indol-2-yl)octanoic acid?
The InChIKey is UANCGZYFFONKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16(19)11-5-3-1-2-4-9-14-12-13-8-6-7-10-15(13)17-14/h6-8,10,12,17H,1-5,9,11H2,(H,18,19).
What are the key properties of 8-(1H-indol-2-yl)octanoic acid?
8-(1H-indol-2-yl)octanoic acid has a molecular weight of 259.35 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-indol-2-yl)octanoic acid is sourced from PubChem (CID 54343320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).