2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene

C15H16OS — CID 20542545

IUPAC2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene
SMILESCc1ccc(S(=O)c2ccccc2C)c(C)c1
InChIInChI=1S/C15H16OS/c1-11-8-9-15(13(3)10-11)17(16)14-7-5-4-6-12(14)2/h4-10H,1-3H3
InChIKeyMNNRZFZPITTZBD-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.78
Rot. Bonds2

About 2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene

2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene (PubChem CID 20542545) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene.

Molecular Properties

Compound Name2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene
PubChem CID20542545
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene
SMILESCc1ccc(S(=O)c2ccccc2C)c(C)c1
InChIInChI=1S/C15H16OS/c1-11-8-9-15(13(3)10-11)17(16)14-7-5-4-6-12(14)2/h4-10H,1-3H3
InChIKeyMNNRZFZPITTZBD-UHFFFAOYSA-N
XLogP3.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene?
The IUPAC name of 2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene (CID 20542545) is 2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene.
What is the SMILES notation for 2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene?
The canonical SMILES for 2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene is Cc1ccc(S(=O)c2ccccc2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene?
The InChIKey is MNNRZFZPITTZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-11-8-9-15(13(3)10-11)17(16)14-7-5-4-6-12(14)2/h4-10H,1-3H3.
What are the key properties of 2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene?
2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene has a molecular weight of 244.36 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene is sourced from PubChem (CID 20542545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).