(3-chlorophenyl)-(5-phenylthiophen-2-yl)methanone

C17H11ClOS — CID 90683469

IUPAC(3-chlorophenyl)-(5-phenylthiophen-2-yl)methanone
SMILESO=C(c1cccc(Cl)c1)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C17H11ClOS/c18-14-8-4-7-13(11-14)17(19)16-10-9-15(20-16)12-5-2-1-3-6-12/h1-11H
InChIKeyNPHMDJQLTWSBCK-UHFFFAOYSA-N
MW298.79 g/mol
LogP5.30
Rot. Bonds3

About (3-chlorophenyl)-(5-phenylthiophen-2-yl)methanone

(3-chlorophenyl)-(5-phenylthiophen-2-yl)methanone (PubChem CID 90683469) has the molecular formula C17H11ClOS and a molecular weight of 298.79 g/mol. Its IUPAC name is (3-chlorophenyl)-(5-phenylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(5-phenylthiophen-2-yl)methanone
PubChem CID90683469
Molecular FormulaC17H11ClOS
Molecular Weight298.79 g/mol
Exact Mass298.02
IUPAC Name(3-chlorophenyl)-(5-phenylthiophen-2-yl)methanone
SMILESO=C(c1cccc(Cl)c1)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C17H11ClOS/c18-14-8-4-7-13(11-14)17(19)16-10-9-15(20-16)12-5-2-1-3-6-12/h1-11H
InChIKeyNPHMDJQLTWSBCK-UHFFFAOYSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.79
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(5-phenylthiophen-2-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(5-phenylthiophen-2-yl)methanone (CID 90683469) is (3-chlorophenyl)-(5-phenylthiophen-2-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(5-phenylthiophen-2-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(5-phenylthiophen-2-yl)methanone is O=C(c1cccc(Cl)c1)c1ccc(-c2ccccc2)s1.
What is the InChIKey of (3-chlorophenyl)-(5-phenylthiophen-2-yl)methanone?
The InChIKey is NPHMDJQLTWSBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClOS/c18-14-8-4-7-13(11-14)17(19)16-10-9-15(20-16)12-5-2-1-3-6-12/h1-11H.
What are the key properties of (3-chlorophenyl)-(5-phenylthiophen-2-yl)methanone?
(3-chlorophenyl)-(5-phenylthiophen-2-yl)methanone has a molecular weight of 298.79 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(5-phenylthiophen-2-yl)methanone is sourced from PubChem (CID 90683469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).