8-(6,7-dichloro-1H-indol-2-yl)octanoic acid

C16H19Cl2NO2 — CID 66912391

IUPAC8-(6,7-dichloro-1H-indol-2-yl)octanoic acid
SMILESO=C(O)CCCCCCCc1cc2ccc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C16H19Cl2NO2/c17-13-9-8-11-10-12(19-16(11)15(13)18)6-4-2-1-3-5-7-14(20)21/h8-10,19H,1-7H2,(H,20,21)
InChIKeyWARKWHBPNMSGQB-UHFFFAOYSA-N
MW328.24 g/mol
LogP5.44
Rot. Bonds8

About 8-(6,7-dichloro-1H-indol-2-yl)octanoic acid

8-(6,7-dichloro-1H-indol-2-yl)octanoic acid (PubChem CID 66912391) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is 8-(6,7-dichloro-1H-indol-2-yl)octanoic acid.

Molecular Properties

Compound Name8-(6,7-dichloro-1H-indol-2-yl)octanoic acid
PubChem CID66912391
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC Name8-(6,7-dichloro-1H-indol-2-yl)octanoic acid
SMILESO=C(O)CCCCCCCc1cc2ccc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C16H19Cl2NO2/c17-13-9-8-11-10-12(19-16(11)15(13)18)6-4-2-1-3-5-7-14(20)21/h8-10,19H,1-7H2,(H,20,21)
InChIKeyWARKWHBPNMSGQB-UHFFFAOYSA-N
XLogP5.44
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.24
LogP ≤ 55.44
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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Frequently Asked Questions

What is the IUPAC name of 8-(6,7-dichloro-1H-indol-2-yl)octanoic acid?
The IUPAC name of 8-(6,7-dichloro-1H-indol-2-yl)octanoic acid (CID 66912391) is 8-(6,7-dichloro-1H-indol-2-yl)octanoic acid.
What is the SMILES notation for 8-(6,7-dichloro-1H-indol-2-yl)octanoic acid?
The canonical SMILES for 8-(6,7-dichloro-1H-indol-2-yl)octanoic acid is O=C(O)CCCCCCCc1cc2ccc(Cl)c(Cl)c2[nH]1.
What is the InChIKey of 8-(6,7-dichloro-1H-indol-2-yl)octanoic acid?
The InChIKey is WARKWHBPNMSGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO2/c17-13-9-8-11-10-12(19-16(11)15(13)18)6-4-2-1-3-5-7-14(20)21/h8-10,19H,1-7H2,(H,20,21).
What are the key properties of 8-(6,7-dichloro-1H-indol-2-yl)octanoic acid?
8-(6,7-dichloro-1H-indol-2-yl)octanoic acid has a molecular weight of 328.24 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6,7-dichloro-1H-indol-2-yl)octanoic acid is sourced from PubChem (CID 66912391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).