5,7-dichloro-3-octyl-1H-indole

C16H21Cl2N — CID 106984988

IUPAC5,7-dichloro-3-octyl-1H-indole
SMILESCCCCCCCCc1c[nH]c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H21Cl2N/c1-2-3-4-5-6-7-8-12-11-19-16-14(12)9-13(17)10-15(16)18/h9-11,19H,2-8H2,1H3
InChIKeyFJPLBDRNHLHASM-UHFFFAOYSA-N
MW298.26 g/mol
LogP6.38
Rot. Bonds7

About 5,7-dichloro-3-octyl-1H-indole

5,7-dichloro-3-octyl-1H-indole (PubChem CID 106984988) has the molecular formula C16H21Cl2N and a molecular weight of 298.26 g/mol. Its IUPAC name is 5,7-dichloro-3-octyl-1H-indole.

Molecular Properties

Compound Name5,7-dichloro-3-octyl-1H-indole
PubChem CID106984988
Molecular FormulaC16H21Cl2N
Molecular Weight298.26 g/mol
Exact Mass297.11
IUPAC Name5,7-dichloro-3-octyl-1H-indole
SMILESCCCCCCCCc1c[nH]c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H21Cl2N/c1-2-3-4-5-6-7-8-12-11-19-16-14(12)9-13(17)10-15(16)18/h9-11,19H,2-8H2,1H3
InChIKeyFJPLBDRNHLHASM-UHFFFAOYSA-N
XLogP6.38
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.26
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-5-fluoro-3-octyl-1H-indole
CID 106984996
5-chloro-7-methyl-3-propyl-1H-indole
CID 91802279
3-heptyl-1H-indole
CID 15360907
2-(5-chloro-7-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 18702284
2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid
CID 170356584
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
3,4-dihexyl-1H-pyrrole
CID 67204335
3-hexyl-1H-indole-6-carbaldehyde
CID 156692445
3-octyl-1H-indole-6-carboxylic acid
CID 12797257
3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
CID 96674281
3-hexadecyl-1H-indole-6-carboxylic acid
CID 12797258

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-octyl-1H-indole?
The IUPAC name of 5,7-dichloro-3-octyl-1H-indole (CID 106984988) is 5,7-dichloro-3-octyl-1H-indole.
What is the SMILES notation for 5,7-dichloro-3-octyl-1H-indole?
The canonical SMILES for 5,7-dichloro-3-octyl-1H-indole is CCCCCCCCc1c[nH]c2c(Cl)cc(Cl)cc12.
What is the InChIKey of 5,7-dichloro-3-octyl-1H-indole?
The InChIKey is FJPLBDRNHLHASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N/c1-2-3-4-5-6-7-8-12-11-19-16-14(12)9-13(17)10-15(16)18/h9-11,19H,2-8H2,1H3.
What are the key properties of 5,7-dichloro-3-octyl-1H-indole?
5,7-dichloro-3-octyl-1H-indole has a molecular weight of 298.26 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-octyl-1H-indole is sourced from PubChem (CID 106984988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).