(7-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone

C24H23NO2 — CID 53394449

IUPAC(7-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone
SMILESCCCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c21
InChIInChI=1S/C24H23NO2/c1-2-3-6-15-25-16-21(19-12-8-14-22(26)23(19)25)24(27)20-13-7-10-17-9-4-5-11-18(17)20/h4-5,7-14,16,26H,2-3,6,15H2,1H3
InChIKeyOHAPOWHHSCCXIL-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.92
Rot. Bonds6

About (7-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone

(7-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone (PubChem CID 53394449) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (7-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(7-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone
PubChem CID53394449
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(7-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone
SMILESCCCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c21
InChIInChI=1S/C24H23NO2/c1-2-3-6-15-25-16-21(19-12-8-14-22(26)23(19)25)24(27)20-13-7-10-17-9-4-5-11-18(17)20/h4-5,7-14,16,26H,2-3,6,15H2,1H3
InChIKeyOHAPOWHHSCCXIL-UHFFFAOYSA-N
XLogP5.92
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (7-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (7-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone (CID 53394449) is (7-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (7-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (7-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone is CCCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c21.
What is the InChIKey of (7-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone?
The InChIKey is OHAPOWHHSCCXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-2-3-6-15-25-16-21(19-12-8-14-22(26)23(19)25)24(27)20-13-7-10-17-9-4-5-11-18(17)20/h4-5,7-14,16,26H,2-3,6,15H2,1H3.
What are the key properties of (7-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone?
(7-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone has a molecular weight of 357.45 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 53394449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).