(1-butyl-2-hydroxyindol-3-yl)-naphthalen-1-ylmethanone

C23H21NO2 — CID 53394098

IUPAC(1-butyl-2-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
SMILESCCCCn1c(O)c(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C23H21NO2/c1-2-3-15-24-20-14-7-6-12-19(20)21(23(24)26)22(25)18-13-8-10-16-9-4-5-11-17(16)18/h4-14,26H,2-3,15H2,1H3
InChIKeyHLQUZHWENOKGOT-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.53
Rot. Bonds5

About (1-butyl-2-hydroxyindol-3-yl)-naphthalen-1-ylmethanone

(1-butyl-2-hydroxyindol-3-yl)-naphthalen-1-ylmethanone (PubChem CID 53394098) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (1-butyl-2-hydroxyindol-3-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(1-butyl-2-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
PubChem CID53394098
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name(1-butyl-2-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
SMILESCCCCn1c(O)c(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C23H21NO2/c1-2-3-15-24-20-14-7-6-12-19(20)21(23(24)26)22(25)18-13-8-10-16-9-4-5-11-17(16)18/h4-14,26H,2-3,15H2,1H3
InChIKeyHLQUZHWENOKGOT-UHFFFAOYSA-N
XLogP5.53
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-butyl-2-hydroxyindol-3-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (1-butyl-2-hydroxyindol-3-yl)-naphthalen-1-ylmethanone (CID 53394098) is (1-butyl-2-hydroxyindol-3-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (1-butyl-2-hydroxyindol-3-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (1-butyl-2-hydroxyindol-3-yl)-naphthalen-1-ylmethanone is CCCCn1c(O)c(C(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of (1-butyl-2-hydroxyindol-3-yl)-naphthalen-1-ylmethanone?
The InChIKey is HLQUZHWENOKGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-2-3-15-24-20-14-7-6-12-19(20)21(23(24)26)22(25)18-13-8-10-16-9-4-5-11-17(16)18/h4-14,26H,2-3,15H2,1H3.
What are the key properties of (1-butyl-2-hydroxyindol-3-yl)-naphthalen-1-ylmethanone?
(1-butyl-2-hydroxyindol-3-yl)-naphthalen-1-ylmethanone has a molecular weight of 343.43 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-2-hydroxyindol-3-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 53394098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).