2-(2-chlorophenyl)-1-[1-(5-hydroxypentyl)indol-3-yl]ethanone

C21H22ClNO2 — CID 125181391

IUPAC2-(2-chlorophenyl)-1-[1-(5-hydroxypentyl)indol-3-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)c1cn(CCCCCO)c2ccccc12
InChIInChI=1S/C21H22ClNO2/c22-19-10-4-2-8-16(19)14-21(25)18-15-23(12-6-1-7-13-24)20-11-5-3-9-17(18)20/h2-5,8-11,15,24H,1,6-7,12-14H2
InChIKeyRFHPYWJZEUWQOM-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.88
Rot. Bonds8

About 2-(2-chlorophenyl)-1-[1-(5-hydroxypentyl)indol-3-yl]ethanone

2-(2-chlorophenyl)-1-[1-(5-hydroxypentyl)indol-3-yl]ethanone (PubChem CID 125181391) has the molecular formula C21H22ClNO2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[1-(5-hydroxypentyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[1-(5-hydroxypentyl)indol-3-yl]ethanone
PubChem CID125181391
Molecular FormulaC21H22ClNO2
Molecular Weight355.87 g/mol
Exact Mass355.13
IUPAC Name2-(2-chlorophenyl)-1-[1-(5-hydroxypentyl)indol-3-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)c1cn(CCCCCO)c2ccccc12
InChIInChI=1S/C21H22ClNO2/c22-19-10-4-2-8-16(19)14-21(25)18-15-23(12-6-1-7-13-24)20-11-5-3-9-17(18)20/h2-5,8-11,15,24H,1,6-7,12-14H2
InChIKeyRFHPYWJZEUWQOM-UHFFFAOYSA-N
XLogP4.88
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(2-chlorophenyl)-1-[1-(5-hydroxypentyl)indol-3-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[1-(5-hydroxypentyl)indol-3-yl]ethanone (CID 125181391) is 2-(2-chlorophenyl)-1-[1-(5-hydroxypentyl)indol-3-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[1-(5-hydroxypentyl)indol-3-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[1-(5-hydroxypentyl)indol-3-yl]ethanone is O=C(Cc1ccccc1Cl)c1cn(CCCCCO)c2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-1-[1-(5-hydroxypentyl)indol-3-yl]ethanone?
The InChIKey is RFHPYWJZEUWQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO2/c22-19-10-4-2-8-16(19)14-21(25)18-15-23(12-6-1-7-13-24)20-11-5-3-9-17(18)20/h2-5,8-11,15,24H,1,6-7,12-14H2.
What are the key properties of 2-(2-chlorophenyl)-1-[1-(5-hydroxypentyl)indol-3-yl]ethanone?
2-(2-chlorophenyl)-1-[1-(5-hydroxypentyl)indol-3-yl]ethanone has a molecular weight of 355.87 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[1-(5-hydroxypentyl)indol-3-yl]ethanone is sourced from PubChem (CID 125181391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).