2-(2-chlorophenyl)-1-[1-(4-hydroxypentyl)indol-3-yl]ethanone

C21H22ClNO2 — CID 132988811

IUPAC2-(2-chlorophenyl)-1-[1-(4-hydroxypentyl)indol-3-yl]ethanone
SMILESCC(O)CCCn1cc(C(=O)Cc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C21H22ClNO2/c1-15(24)7-6-12-23-14-18(17-9-3-5-11-20(17)23)21(25)13-16-8-2-4-10-19(16)22/h2-5,8-11,14-15,24H,6-7,12-13H2,1H3
InChIKeyALUOSHHIHVCMCU-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.88
Rot. Bonds7

About 2-(2-chlorophenyl)-1-[1-(4-hydroxypentyl)indol-3-yl]ethanone

2-(2-chlorophenyl)-1-[1-(4-hydroxypentyl)indol-3-yl]ethanone (PubChem CID 132988811) has the molecular formula C21H22ClNO2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[1-(4-hydroxypentyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[1-(4-hydroxypentyl)indol-3-yl]ethanone
PubChem CID132988811
Molecular FormulaC21H22ClNO2
Molecular Weight355.87 g/mol
Exact Mass355.13
IUPAC Name2-(2-chlorophenyl)-1-[1-(4-hydroxypentyl)indol-3-yl]ethanone
SMILESCC(O)CCCn1cc(C(=O)Cc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C21H22ClNO2/c1-15(24)7-6-12-23-14-18(17-9-3-5-11-20(17)23)21(25)13-16-8-2-4-10-19(16)22/h2-5,8-11,14-15,24H,6-7,12-13H2,1H3
InChIKeyALUOSHHIHVCMCU-UHFFFAOYSA-N
XLogP4.88
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[1-(4-hydroxypentyl)indol-3-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[1-(4-hydroxypentyl)indol-3-yl]ethanone (CID 132988811) is 2-(2-chlorophenyl)-1-[1-(4-hydroxypentyl)indol-3-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[1-(4-hydroxypentyl)indol-3-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[1-(4-hydroxypentyl)indol-3-yl]ethanone is CC(O)CCCn1cc(C(=O)Cc2ccccc2Cl)c2ccccc21.
What is the InChIKey of 2-(2-chlorophenyl)-1-[1-(4-hydroxypentyl)indol-3-yl]ethanone?
The InChIKey is ALUOSHHIHVCMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO2/c1-15(24)7-6-12-23-14-18(17-9-3-5-11-20(17)23)21(25)13-16-8-2-4-10-19(16)22/h2-5,8-11,14-15,24H,6-7,12-13H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[1-(4-hydroxypentyl)indol-3-yl]ethanone?
2-(2-chlorophenyl)-1-[1-(4-hydroxypentyl)indol-3-yl]ethanone has a molecular weight of 355.87 g/mol, XLogP of 4.88, 7 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-(4-hydroxypentyl)indol-3-yl]ethanone is sourced from PubChem (CID 132988811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).