8,8-bis(1H-indol-3-yl)octanoic acid

C24H26N2O2 — CID 66986806

IUPAC8,8-bis(1H-indol-3-yl)octanoic acid
SMILESO=C(O)CCCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H26N2O2/c27-24(28)14-4-2-1-3-9-17(20-15-25-22-12-7-5-10-18(20)22)21-16-26-23-13-8-6-11-19(21)23/h5-8,10-13,15-17,25-26H,1-4,9,14H2,(H,27,28)
InChIKeyXCDIJFXDWBEHSC-UHFFFAOYSA-N
MW374.48 g/mol
LogP6.21
Rot. Bonds9

About 8,8-bis(1H-indol-3-yl)octanoic acid

8,8-bis(1H-indol-3-yl)octanoic acid (PubChem CID 66986806) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 8,8-bis(1H-indol-3-yl)octanoic acid.

Molecular Properties

Compound Name8,8-bis(1H-indol-3-yl)octanoic acid
PubChem CID66986806
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name8,8-bis(1H-indol-3-yl)octanoic acid
SMILESO=C(O)CCCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H26N2O2/c27-24(28)14-4-2-1-3-9-17(20-15-25-22-12-7-5-10-18(20)22)21-16-26-23-13-8-6-11-19(21)23/h5-8,10-13,15-17,25-26H,1-4,9,14H2,(H,27,28)
InChIKeyXCDIJFXDWBEHSC-UHFFFAOYSA-N
XLogP6.21
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid
CID 66993431
4-amino-4-(1H-indol-3-yl)butanoic acid
CID 82614837
1H-indol-3-ol;octadecanoic acid
CID 22916327
2-(1H-indol-3-yl)butanedioic acid
CID 588708
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid
CID 152857532
3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid
CID 3550541
5-fluoro-3-(1H-indol-3-yl)pentanoic acid
CID 175501351
3-(1H-indol-3-yl)pentanoic acid
CID 12616752
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
5-[1H-indol-3-yl(methyl)amino]pentanoic acid
CID 115218967
(3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol
CID 45101575

Frequently Asked Questions

What is the IUPAC name of 8,8-bis(1H-indol-3-yl)octanoic acid?
The IUPAC name of 8,8-bis(1H-indol-3-yl)octanoic acid (CID 66986806) is 8,8-bis(1H-indol-3-yl)octanoic acid.
What is the SMILES notation for 8,8-bis(1H-indol-3-yl)octanoic acid?
The canonical SMILES for 8,8-bis(1H-indol-3-yl)octanoic acid is O=C(O)CCCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 8,8-bis(1H-indol-3-yl)octanoic acid?
The InChIKey is XCDIJFXDWBEHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c27-24(28)14-4-2-1-3-9-17(20-15-25-22-12-7-5-10-18(20)22)21-16-26-23-13-8-6-11-19(21)23/h5-8,10-13,15-17,25-26H,1-4,9,14H2,(H,27,28).
What are the key properties of 8,8-bis(1H-indol-3-yl)octanoic acid?
8,8-bis(1H-indol-3-yl)octanoic acid has a molecular weight of 374.48 g/mol, XLogP of 6.21, 9 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-bis(1H-indol-3-yl)octanoic acid is sourced from PubChem (CID 66986806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).