2-naphthalen-1-yl-1-thiophen-2-ylethanone

C16H12OS — CID 61054681

IUPAC2-naphthalen-1-yl-1-thiophen-2-ylethanone
SMILESO=C(Cc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C16H12OS/c17-15(16-9-4-10-18-16)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2
InChIKeyFXVUYCWKGCIRNQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.33
Rot. Bonds3

About 2-naphthalen-1-yl-1-thiophen-2-ylethanone

2-naphthalen-1-yl-1-thiophen-2-ylethanone (PubChem CID 61054681) has the molecular formula C16H12OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-thiophen-2-ylethanone
PubChem CID61054681
Molecular FormulaC16H12OS
Molecular Weight252.34 g/mol
Exact Mass252.06
IUPAC Name2-naphthalen-1-yl-1-thiophen-2-ylethanone
SMILESO=C(Cc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C16H12OS/c17-15(16-9-4-10-18-16)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2
InChIKeyFXVUYCWKGCIRNQ-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-thiophen-2-ylethanone?
The IUPAC name of 2-naphthalen-1-yl-1-thiophen-2-ylethanone (CID 61054681) is 2-naphthalen-1-yl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-naphthalen-1-yl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-naphthalen-1-yl-1-thiophen-2-ylethanone is O=C(Cc1cccc2ccccc12)c1cccs1.
What is the InChIKey of 2-naphthalen-1-yl-1-thiophen-2-ylethanone?
The InChIKey is FXVUYCWKGCIRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12OS/c17-15(16-9-4-10-18-16)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2.
What are the key properties of 2-naphthalen-1-yl-1-thiophen-2-ylethanone?
2-naphthalen-1-yl-1-thiophen-2-ylethanone has a molecular weight of 252.34 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-thiophen-2-ylethanone is sourced from PubChem (CID 61054681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).