1-[5-(2-naphthalen-2-ylphenyl)thiophen-2-yl]ethanone

C22H16OS — CID 167296285

IUPAC1-[5-(2-naphthalen-2-ylphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2-c2ccc3ccccc3c2)s1
InChIInChI=1S/C22H16OS/c1-15(23)21-12-13-22(24-21)20-9-5-4-8-19(20)18-11-10-16-6-2-3-7-17(16)14-18/h2-14H,1H3
InChIKeyBXPIHUQLKWONLD-UHFFFAOYSA-N
MW328.44 g/mol
LogP6.44
Rot. Bonds3

About 1-[5-(2-naphthalen-2-ylphenyl)thiophen-2-yl]ethanone

1-[5-(2-naphthalen-2-ylphenyl)thiophen-2-yl]ethanone (PubChem CID 167296285) has the molecular formula C22H16OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-[5-(2-naphthalen-2-ylphenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-naphthalen-2-ylphenyl)thiophen-2-yl]ethanone
PubChem CID167296285
Molecular FormulaC22H16OS
Molecular Weight328.44 g/mol
Exact Mass328.09
IUPAC Name1-[5-(2-naphthalen-2-ylphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2-c2ccc3ccccc3c2)s1
InChIInChI=1S/C22H16OS/c1-15(23)21-12-13-22(24-21)20-9-5-4-8-19(20)18-11-10-16-6-2-3-7-17(16)14-18/h2-14H,1H3
InChIKeyBXPIHUQLKWONLD-UHFFFAOYSA-N
XLogP6.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.44
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-naphthalen-2-ylphenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(2-naphthalen-2-ylphenyl)thiophen-2-yl]ethanone (CID 167296285) is 1-[5-(2-naphthalen-2-ylphenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2-naphthalen-2-ylphenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(2-naphthalen-2-ylphenyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2ccccc2-c2ccc3ccccc3c2)s1.
What is the InChIKey of 1-[5-(2-naphthalen-2-ylphenyl)thiophen-2-yl]ethanone?
The InChIKey is BXPIHUQLKWONLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16OS/c1-15(23)21-12-13-22(24-21)20-9-5-4-8-19(20)18-11-10-16-6-2-3-7-17(16)14-18/h2-14H,1H3.
What are the key properties of 1-[5-(2-naphthalen-2-ylphenyl)thiophen-2-yl]ethanone?
1-[5-(2-naphthalen-2-ylphenyl)thiophen-2-yl]ethanone has a molecular weight of 328.44 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-naphthalen-2-ylphenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 167296285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).