(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

C15H12BrClOS — CID 80531579

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESO=C(c1cc(Cl)c(Br)s1)C1CCCc2ccccc21
InChIInChI=1S/C15H12BrClOS/c16-15-12(17)8-13(19-15)14(18)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2
InChIKeyRNPMKMFHAXXNLK-UHFFFAOYSA-N
MW355.68 g/mol
LogP5.47
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (PubChem CID 80531579) has the molecular formula C15H12BrClOS and a molecular weight of 355.68 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
PubChem CID80531579
Molecular FormulaC15H12BrClOS
Molecular Weight355.68 g/mol
Exact Mass353.95
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESO=C(c1cc(Cl)c(Br)s1)C1CCCc2ccccc21
InChIInChI=1S/C15H12BrClOS/c16-15-12(17)8-13(19-15)14(18)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2
InChIKeyRNPMKMFHAXXNLK-UHFFFAOYSA-N
XLogP5.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.68
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (CID 80531579) is (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is O=C(c1cc(Cl)c(Br)s1)C1CCCc2ccccc21.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The InChIKey is RNPMKMFHAXXNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClOS/c16-15-12(17)8-13(19-15)14(18)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone has a molecular weight of 355.68 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is sourced from PubChem (CID 80531579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).