[1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone

C25H25NO2 — CID 165361507

IUPAC[1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
SMILESCCCC(O)Cn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-3-8-18(27)15-26-16-23(21-11-6-7-12-24(21)26)25(28)22-14-13-17(2)19-9-4-5-10-20(19)22/h4-7,9-14,16,18,27H,3,8,15H2,1-2H3
InChIKeyDCYBDANVHVBHDY-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.49
Rot. Bonds6

About [1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone

[1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone (PubChem CID 165361507) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is [1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
PubChem CID165361507
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name[1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
SMILESCCCC(O)Cn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-3-8-18(27)15-26-16-23(21-11-6-7-12-24(21)26)25(28)22-14-13-17(2)19-9-4-5-10-20(19)22/h4-7,9-14,16,18,27H,3,8,15H2,1-2H3
InChIKeyDCYBDANVHVBHDY-UHFFFAOYSA-N
XLogP5.49
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone 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 [1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone?
The IUPAC name of [1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone (CID 165361507) is [1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for [1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone?
The canonical SMILES for [1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone is CCCC(O)Cn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21.
What is the InChIKey of [1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone?
The InChIKey is DCYBDANVHVBHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-3-8-18(27)15-26-16-23(21-11-6-7-12-24(21)26)25(28)22-14-13-17(2)19-9-4-5-10-20(19)22/h4-7,9-14,16,18,27H,3,8,15H2,1-2H3.
What are the key properties of [1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone?
[1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone has a molecular weight of 371.48 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 165361507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).