1-(2-butylsulfanylnaphthalen-1-yl)naphthalen-2-ol

C24H22OS — CID 10522412

IUPAC1-(2-butylsulfanylnaphthalen-1-yl)naphthalen-2-ol
SMILESCCCCSc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C24H22OS/c1-2-3-16-26-22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)25/h4-15,25H,2-3,16H2,1H3
InChIKeyCBQXNZUWAUJBQU-UHFFFAOYSA-N
MW358.51 g/mol
LogP7.26
Rot. Bonds5

About 1-(2-butylsulfanylnaphthalen-1-yl)naphthalen-2-ol

1-(2-butylsulfanylnaphthalen-1-yl)naphthalen-2-ol (PubChem CID 10522412) has the molecular formula C24H22OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-(2-butylsulfanylnaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-butylsulfanylnaphthalen-1-yl)naphthalen-2-ol
PubChem CID10522412
Molecular FormulaC24H22OS
Molecular Weight358.51 g/mol
Exact Mass358.14
IUPAC Name1-(2-butylsulfanylnaphthalen-1-yl)naphthalen-2-ol
SMILESCCCCSc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C24H22OS/c1-2-3-16-26-22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)25/h4-15,25H,2-3,16H2,1H3
InChIKeyCBQXNZUWAUJBQU-UHFFFAOYSA-N
XLogP7.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-butylsulfanylnaphthalen-1-yl)naphthalen-2-ol 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-butylsulfanylnaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 1-(2-butylsulfanylnaphthalen-1-yl)naphthalen-2-ol (CID 10522412) is 1-(2-butylsulfanylnaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-butylsulfanylnaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 1-(2-butylsulfanylnaphthalen-1-yl)naphthalen-2-ol is CCCCSc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.
What is the InChIKey of 1-(2-butylsulfanylnaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is CBQXNZUWAUJBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22OS/c1-2-3-16-26-22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)25/h4-15,25H,2-3,16H2,1H3.
What are the key properties of 1-(2-butylsulfanylnaphthalen-1-yl)naphthalen-2-ol?
1-(2-butylsulfanylnaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 358.51 g/mol, XLogP of 7.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butylsulfanylnaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 10522412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).