1-(4-naphthalen-1-ylsulfanylphenyl)ethanone

C18H14OS — CID 53343510

IUPAC1-(4-naphthalen-1-ylsulfanylphenyl)ethanone
SMILESCC(=O)c1ccc(Sc2cccc3ccccc23)cc1
InChIInChI=1S/C18H14OS/c1-13(19)14-9-11-16(12-10-14)20-18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,1H3
InChIKeyXAAMQPMMJVRDKJ-UHFFFAOYSA-N
MW278.38 g/mol
LogP5.19
Rot. Bonds3

About 1-(4-naphthalen-1-ylsulfanylphenyl)ethanone

1-(4-naphthalen-1-ylsulfanylphenyl)ethanone (PubChem CID 53343510) has the molecular formula C18H14OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(4-naphthalen-1-ylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-naphthalen-1-ylsulfanylphenyl)ethanone
PubChem CID53343510
Molecular FormulaC18H14OS
Molecular Weight278.38 g/mol
Exact Mass278.08
IUPAC Name1-(4-naphthalen-1-ylsulfanylphenyl)ethanone
SMILESCC(=O)c1ccc(Sc2cccc3ccccc23)cc1
InChIInChI=1S/C18H14OS/c1-13(19)14-9-11-16(12-10-14)20-18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,1H3
InChIKeyXAAMQPMMJVRDKJ-UHFFFAOYSA-N
XLogP5.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.38
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-naphthalen-1-ylsulfanylphenyl)ethanone?
The IUPAC name of 1-(4-naphthalen-1-ylsulfanylphenyl)ethanone (CID 53343510) is 1-(4-naphthalen-1-ylsulfanylphenyl)ethanone.
What is the SMILES notation for 1-(4-naphthalen-1-ylsulfanylphenyl)ethanone?
The canonical SMILES for 1-(4-naphthalen-1-ylsulfanylphenyl)ethanone is CC(=O)c1ccc(Sc2cccc3ccccc23)cc1.
What is the InChIKey of 1-(4-naphthalen-1-ylsulfanylphenyl)ethanone?
The InChIKey is XAAMQPMMJVRDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14OS/c1-13(19)14-9-11-16(12-10-14)20-18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,1H3.
What are the key properties of 1-(4-naphthalen-1-ylsulfanylphenyl)ethanone?
1-(4-naphthalen-1-ylsulfanylphenyl)ethanone has a molecular weight of 278.38 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-naphthalen-1-ylsulfanylphenyl)ethanone is sourced from PubChem (CID 53343510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).