2-(4-methoxyphenyl)sulfanylnaphthalene

C17H14OS — CID 14813922

IUPAC2-(4-methoxyphenyl)sulfanylnaphthalene
SMILESCOc1ccc(Sc2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H14OS/c1-18-15-7-10-16(11-8-15)19-17-9-6-13-4-2-3-5-14(13)12-17/h2-12H,1H3
InChIKeyMNPWTWMTTFYXOE-UHFFFAOYSA-N
MW266.37 g/mol
LogP5.00
Rot. Bonds3

About 2-(4-methoxyphenyl)sulfanylnaphthalene

2-(4-methoxyphenyl)sulfanylnaphthalene (PubChem CID 14813922) has the molecular formula C17H14OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanylnaphthalene.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanylnaphthalene
PubChem CID14813922
Molecular FormulaC17H14OS
Molecular Weight266.37 g/mol
Exact Mass266.08
IUPAC Name2-(4-methoxyphenyl)sulfanylnaphthalene
SMILESCOc1ccc(Sc2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H14OS/c1-18-15-7-10-16(11-8-15)19-17-9-6-13-4-2-3-5-14(13)12-17/h2-12H,1H3
InChIKeyMNPWTWMTTFYXOE-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methoxyphenyl)sulfanylnaphthalene 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 2-(4-methoxyphenyl)sulfanylnaphthalene?
The IUPAC name of 2-(4-methoxyphenyl)sulfanylnaphthalene (CID 14813922) is 2-(4-methoxyphenyl)sulfanylnaphthalene.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanylnaphthalene?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanylnaphthalene is COc1ccc(Sc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanylnaphthalene?
The InChIKey is MNPWTWMTTFYXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14OS/c1-18-15-7-10-16(11-8-15)19-17-9-6-13-4-2-3-5-14(13)12-17/h2-12H,1H3.
What are the key properties of 2-(4-methoxyphenyl)sulfanylnaphthalene?
2-(4-methoxyphenyl)sulfanylnaphthalene has a molecular weight of 266.37 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanylnaphthalene is sourced from PubChem (CID 14813922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).