1-[(4-chlorophenyl)methylsulfinyl]-4-methylbenzene

C14H13ClOS — CID 44522627

IUPAC1-[(4-chlorophenyl)methylsulfinyl]-4-methylbenzene
SMILESCc1ccc(S(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClOS/c1-11-2-8-14(9-3-11)17(16)10-12-4-6-13(15)7-5-12/h2-9H,10H2,1H3
InChIKeyFSONEUXRQYIQNX-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.96
Rot. Bonds3

About 1-[(4-chlorophenyl)methylsulfinyl]-4-methylbenzene

1-[(4-chlorophenyl)methylsulfinyl]-4-methylbenzene (PubChem CID 44522627) has the molecular formula C14H13ClOS and a molecular weight of 264.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfinyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfinyl]-4-methylbenzene
PubChem CID44522627
Molecular FormulaC14H13ClOS
Molecular Weight264.78 g/mol
Exact Mass264.04
IUPAC Name1-[(4-chlorophenyl)methylsulfinyl]-4-methylbenzene
SMILESCc1ccc(S(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClOS/c1-11-2-8-14(9-3-11)17(16)10-12-4-6-13(15)7-5-12/h2-9H,10H2,1H3
InChIKeyFSONEUXRQYIQNX-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfinyl]-4-methylbenzene?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfinyl]-4-methylbenzene (CID 44522627) is 1-[(4-chlorophenyl)methylsulfinyl]-4-methylbenzene.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfinyl]-4-methylbenzene?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfinyl]-4-methylbenzene is Cc1ccc(S(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfinyl]-4-methylbenzene?
The InChIKey is FSONEUXRQYIQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClOS/c1-11-2-8-14(9-3-11)17(16)10-12-4-6-13(15)7-5-12/h2-9H,10H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methylsulfinyl]-4-methylbenzene?
1-[(4-chlorophenyl)methylsulfinyl]-4-methylbenzene has a molecular weight of 264.78 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfinyl]-4-methylbenzene is sourced from PubChem (CID 44522627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).