2-methoxy-1-phenylsulfanylnaphthalene

C17H14OS — CID 132941159

IUPAC2-methoxy-1-phenylsulfanylnaphthalene
SMILESCOc1ccc2ccccc2c1Sc1ccccc1
InChIInChI=1S/C17H14OS/c1-18-16-12-11-13-7-5-6-10-15(13)17(16)19-14-8-3-2-4-9-14/h2-12H,1H3
InChIKeySKAWGXTUIZGACB-UHFFFAOYSA-N
MW266.37 g/mol
LogP5.00
Rot. Bonds3

About 2-methoxy-1-phenylsulfanylnaphthalene

2-methoxy-1-phenylsulfanylnaphthalene (PubChem CID 132941159) has the molecular formula C17H14OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-methoxy-1-phenylsulfanylnaphthalene.

Molecular Properties

Compound Name2-methoxy-1-phenylsulfanylnaphthalene
PubChem CID132941159
Molecular FormulaC17H14OS
Molecular Weight266.37 g/mol
Exact Mass266.08
IUPAC Name2-methoxy-1-phenylsulfanylnaphthalene
SMILESCOc1ccc2ccccc2c1Sc1ccccc1
InChIInChI=1S/C17H14OS/c1-18-16-12-11-13-7-5-6-10-15(13)17(16)19-14-8-3-2-4-9-14/h2-12H,1H3
InChIKeySKAWGXTUIZGACB-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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-phenylsulfanylnaphthalene?
The IUPAC name of 2-methoxy-1-phenylsulfanylnaphthalene (CID 132941159) is 2-methoxy-1-phenylsulfanylnaphthalene.
What is the SMILES notation for 2-methoxy-1-phenylsulfanylnaphthalene?
The canonical SMILES for 2-methoxy-1-phenylsulfanylnaphthalene is COc1ccc2ccccc2c1Sc1ccccc1.
What is the InChIKey of 2-methoxy-1-phenylsulfanylnaphthalene?
The InChIKey is SKAWGXTUIZGACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14OS/c1-18-16-12-11-13-7-5-6-10-15(13)17(16)19-14-8-3-2-4-9-14/h2-12H,1H3.
What are the key properties of 2-methoxy-1-phenylsulfanylnaphthalene?
2-methoxy-1-phenylsulfanylnaphthalene 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-methoxy-1-phenylsulfanylnaphthalene is sourced from PubChem (CID 132941159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).