2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene

C15H15FOS — CID 78998480

IUPAC2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1CS(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15FOS/c1-11-4-3-5-12(2)15(11)10-18(17)14-8-6-13(16)7-9-14/h3-9H,10H2,1-2H3
InChIKeyXVFAGLZSEHWPCK-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.75
Rot. Bonds3

About 2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene

2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene (PubChem CID 78998480) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene
PubChem CID78998480
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1CS(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15FOS/c1-11-4-3-5-12(2)15(11)10-18(17)14-8-6-13(16)7-9-14/h3-9H,10H2,1-2H3
InChIKeyXVFAGLZSEHWPCK-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene?
The IUPAC name of 2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene (CID 78998480) is 2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene is Cc1cccc(C)c1CS(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene?
The InChIKey is XVFAGLZSEHWPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FOS/c1-11-4-3-5-12(2)15(11)10-18(17)14-8-6-13(16)7-9-14/h3-9H,10H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene?
2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene has a molecular weight of 262.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene is sourced from PubChem (CID 78998480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).