(3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone

C16H11ClOS — CID 81430771

IUPAC(3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)c1sccc1Cl
InChIInChI=1S/C16H11ClOS/c1-10-6-7-11-4-2-3-5-12(11)14(10)15(18)16-13(17)8-9-19-16/h2-9H,1H3
InChIKeyUVQTVOWMGGXFQZ-UHFFFAOYSA-N
MW286.78 g/mol
LogP5.09
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone

(3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone (PubChem CID 81430771) has the molecular formula C16H11ClOS and a molecular weight of 286.78 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone
PubChem CID81430771
Molecular FormulaC16H11ClOS
Molecular Weight286.78 g/mol
Exact Mass286.02
IUPAC Name(3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)c1sccc1Cl
InChIInChI=1S/C16H11ClOS/c1-10-6-7-11-4-2-3-5-12(11)14(10)15(18)16-13(17)8-9-19-16/h2-9H,1H3
InChIKeyUVQTVOWMGGXFQZ-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.78
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone (CID 81430771) is (3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone is Cc1ccc2ccccc2c1C(=O)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone?
The InChIKey is UVQTVOWMGGXFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClOS/c1-10-6-7-11-4-2-3-5-12(11)14(10)15(18)16-13(17)8-9-19-16/h2-9H,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone?
(3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone has a molecular weight of 286.78 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 81430771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).