[1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone

C24H23NO2 — CID 53394450

IUPAC[1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)c1cn(CCCCCO)c2ccccc12
InChIInChI=1S/C24H23NO2/c26-16-7-1-6-15-25-17-22(20-12-4-5-14-23(20)25)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17,26H,1,6-7,15-16H2
InChIKeyUGHBAICDASCCIQ-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.19
Rot. Bonds7

About [1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone

[1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone (PubChem CID 53394450) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is [1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
PubChem CID53394450
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name[1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)c1cn(CCCCCO)c2ccccc12
InChIInChI=1S/C24H23NO2/c26-16-7-1-6-15-25-17-22(20-12-4-5-14-23(20)25)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17,26H,1,6-7,15-16H2
InChIKeyUGHBAICDASCCIQ-UHFFFAOYSA-N
XLogP5.19
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.19
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 [1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone (CID 53394450) is [1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)c1cn(CCCCCO)c2ccccc12.
What is the InChIKey of [1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is UGHBAICDASCCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c26-16-7-1-6-15-25-17-22(20-12-4-5-14-23(20)25)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17,26H,1,6-7,15-16H2.
What are the key properties of [1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone?
[1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 357.45 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 53394450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).