2-(4-methylsulfanylphenoxy)naphthalene

C17H14OS — CID 102405302

IUPAC2-(4-methylsulfanylphenoxy)naphthalene
SMILESCSc1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H14OS/c1-19-17-10-8-15(9-11-17)18-16-7-6-13-4-2-3-5-14(13)12-16/h2-12H,1H3
InChIKeyCJPBVIAEAZGXEY-UHFFFAOYSA-N
MW266.37 g/mol
LogP5.35
Rot. Bonds3

About 2-(4-methylsulfanylphenoxy)naphthalene

2-(4-methylsulfanylphenoxy)naphthalene (PubChem CID 102405302) has the molecular formula C17H14OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenoxy)naphthalene.

Molecular Properties

Compound Name2-(4-methylsulfanylphenoxy)naphthalene
PubChem CID102405302
Molecular FormulaC17H14OS
Molecular Weight266.37 g/mol
Exact Mass266.08
IUPAC Name2-(4-methylsulfanylphenoxy)naphthalene
SMILESCSc1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H14OS/c1-19-17-10-8-15(9-11-17)18-16-7-6-13-4-2-3-5-14(13)12-16/h2-12H,1H3
InChIKeyCJPBVIAEAZGXEY-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.37
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenoxy)naphthalene?
The IUPAC name of 2-(4-methylsulfanylphenoxy)naphthalene (CID 102405302) is 2-(4-methylsulfanylphenoxy)naphthalene.
What is the SMILES notation for 2-(4-methylsulfanylphenoxy)naphthalene?
The canonical SMILES for 2-(4-methylsulfanylphenoxy)naphthalene is CSc1ccc(Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenoxy)naphthalene?
The InChIKey is CJPBVIAEAZGXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14OS/c1-19-17-10-8-15(9-11-17)18-16-7-6-13-4-2-3-5-14(13)12-16/h2-12H,1H3.
What are the key properties of 2-(4-methylsulfanylphenoxy)naphthalene?
2-(4-methylsulfanylphenoxy)naphthalene has a molecular weight of 266.37 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenoxy)naphthalene is sourced from PubChem (CID 102405302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).