1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone

C16H11BrOS — CID 81259902

IUPAC1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc3cc(Br)ccc3c2)s1
InChIInChI=1S/C16H11BrOS/c1-10(18)15-6-7-16(19-15)13-3-2-12-9-14(17)5-4-11(12)8-13/h2-9H,1H3
InChIKeyCRWJNLUPCZCPIX-UHFFFAOYSA-N
MW331.23 g/mol
LogP5.53
Rot. Bonds2

About 1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone

1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone (PubChem CID 81259902) has the molecular formula C16H11BrOS and a molecular weight of 331.23 g/mol. Its IUPAC name is 1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone
PubChem CID81259902
Molecular FormulaC16H11BrOS
Molecular Weight331.23 g/mol
Exact Mass329.97
IUPAC Name1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc3cc(Br)ccc3c2)s1
InChIInChI=1S/C16H11BrOS/c1-10(18)15-6-7-16(19-15)13-3-2-12-9-14(17)5-4-11(12)8-13/h2-9H,1H3
InChIKeyCRWJNLUPCZCPIX-UHFFFAOYSA-N
XLogP5.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.23
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone (CID 81259902) is 1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2ccc3cc(Br)ccc3c2)s1.
What is the InChIKey of 1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone?
The InChIKey is CRWJNLUPCZCPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrOS/c1-10(18)15-6-7-16(19-15)13-3-2-12-9-14(17)5-4-11(12)8-13/h2-9H,1H3.
What are the key properties of 1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone?
1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone has a molecular weight of 331.23 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 81259902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).