1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene

C15H12ClFOS — CID 66810700

IUPAC1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene
SMILESO=S(/C=C/c1ccc(F)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFOS/c16-14-5-1-13(2-6-14)11-19(18)10-9-12-3-7-15(17)8-4-12/h1-10H,11H2/b10-9+
InChIKeyASEKJCQKVZEWNW-MDZDMXLPSA-N
MW294.78 g/mol
LogP4.40
Rot. Bonds4

About 1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene

1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene (PubChem CID 66810700) has the molecular formula C15H12ClFOS and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene
PubChem CID66810700
Molecular FormulaC15H12ClFOS
Molecular Weight294.78 g/mol
Exact Mass294.03
IUPAC Name1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene
SMILESO=S(/C=C/c1ccc(F)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFOS/c16-14-5-1-13(2-6-14)11-19(18)10-9-12-3-7-15(17)8-4-12/h1-10H,11H2/b10-9+
InChIKeyASEKJCQKVZEWNW-MDZDMXLPSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene?
The IUPAC name of 1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene (CID 66810700) is 1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene.
What is the SMILES notation for 1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene?
The canonical SMILES for 1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene is O=S(/C=C/c1ccc(F)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene?
The InChIKey is ASEKJCQKVZEWNW-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H12ClFOS/c16-14-5-1-13(2-6-14)11-19(18)10-9-12-3-7-15(17)8-4-12/h1-10H,11H2/b10-9+.
What are the key properties of 1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene?
1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene has a molecular weight of 294.78 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene is sourced from PubChem (CID 66810700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).