[(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene

C18H20OS — CID 138974661

IUPAC[(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene
SMILESCCCC/C(=C\S(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20OS/c1-2-3-10-17(16-11-6-4-7-12-16)15-20(19)18-13-8-5-9-14-18/h4-9,11-15H,2-3,10H2,1H3/b17-15+
InChIKeyNNFOIXQGPNHMIB-BMRADRMJSA-N
MW284.42 g/mol
LogP5.03
Rot. Bonds6

About [(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene

[(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene (PubChem CID 138974661) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is [(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene.

Molecular Properties

Compound Name[(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene
PubChem CID138974661
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name[(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene
SMILESCCCC/C(=C\S(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20OS/c1-2-3-10-17(16-11-6-4-7-12-16)15-20(19)18-13-8-5-9-14-18/h4-9,11-15H,2-3,10H2,1H3/b17-15+
InChIKeyNNFOIXQGPNHMIB-BMRADRMJSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene?
The IUPAC name of [(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene (CID 138974661) is [(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene.
What is the SMILES notation for [(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene?
The canonical SMILES for [(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene is CCCC/C(=C\S(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene?
The InChIKey is NNFOIXQGPNHMIB-BMRADRMJSA-N. The full InChI is InChI=1S/C18H20OS/c1-2-3-10-17(16-11-6-4-7-12-16)15-20(19)18-13-8-5-9-14-18/h4-9,11-15H,2-3,10H2,1H3/b17-15+.
What are the key properties of [(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene?
[(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene has a molecular weight of 284.42 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene is sourced from PubChem (CID 138974661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).