1-benzothiophen-3-yl(naphthalen-1-yl)methanone

C19H12OS — CID 43161871

IUPAC1-benzothiophen-3-yl(naphthalen-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)c1csc2ccccc12
InChIInChI=1S/C19H12OS/c20-19(17-12-21-18-11-4-3-9-15(17)18)16-10-5-7-13-6-1-2-8-14(13)16/h1-12H
InChIKeyZDPDDZLEKZATLZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP5.29
Rot. Bonds2

About 1-benzothiophen-3-yl(naphthalen-1-yl)methanone

1-benzothiophen-3-yl(naphthalen-1-yl)methanone (PubChem CID 43161871) has the molecular formula C19H12OS and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-benzothiophen-3-yl(naphthalen-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl(naphthalen-1-yl)methanone
PubChem CID43161871
Molecular FormulaC19H12OS
Molecular Weight288.37 g/mol
Exact Mass288.06
IUPAC Name1-benzothiophen-3-yl(naphthalen-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)c1csc2ccccc12
InChIInChI=1S/C19H12OS/c20-19(17-12-21-18-11-4-3-9-15(17)18)16-10-5-7-13-6-1-2-8-14(13)16/h1-12H
InChIKeyZDPDDZLEKZATLZ-UHFFFAOYSA-N
XLogP5.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.37
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl(naphthalen-1-yl)methanone?
The IUPAC name of 1-benzothiophen-3-yl(naphthalen-1-yl)methanone (CID 43161871) is 1-benzothiophen-3-yl(naphthalen-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl(naphthalen-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl(naphthalen-1-yl)methanone is O=C(c1cccc2ccccc12)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl(naphthalen-1-yl)methanone?
The InChIKey is ZDPDDZLEKZATLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12OS/c20-19(17-12-21-18-11-4-3-9-15(17)18)16-10-5-7-13-6-1-2-8-14(13)16/h1-12H.
What are the key properties of 1-benzothiophen-3-yl(naphthalen-1-yl)methanone?
1-benzothiophen-3-yl(naphthalen-1-yl)methanone has a molecular weight of 288.37 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl(naphthalen-1-yl)methanone is sourced from PubChem (CID 43161871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).