2-(benzenesulfinyl)prop-2-enoxybenzene

C15H14O2S — CID 14321115

IUPAC2-(benzenesulfinyl)prop-2-enoxybenzene
SMILESC=C(COc1ccccc1)S(=O)c1ccccc1
InChIInChI=1S/C15H14O2S/c1-13(12-17-14-8-4-2-5-9-14)18(16)15-10-6-3-7-11-15/h2-11H,1,12H2
InChIKeyLNIBZBSHGNWFTC-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.39
Rot. Bonds5

About 2-(benzenesulfinyl)prop-2-enoxybenzene

2-(benzenesulfinyl)prop-2-enoxybenzene (PubChem CID 14321115) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(benzenesulfinyl)prop-2-enoxybenzene.

Molecular Properties

Compound Name2-(benzenesulfinyl)prop-2-enoxybenzene
PubChem CID14321115
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name2-(benzenesulfinyl)prop-2-enoxybenzene
SMILESC=C(COc1ccccc1)S(=O)c1ccccc1
InChIInChI=1S/C15H14O2S/c1-13(12-17-14-8-4-2-5-9-14)18(16)15-10-6-3-7-11-15/h2-11H,1,12H2
InChIKeyLNIBZBSHGNWFTC-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)prop-2-enoxybenzene?
The IUPAC name of 2-(benzenesulfinyl)prop-2-enoxybenzene (CID 14321115) is 2-(benzenesulfinyl)prop-2-enoxybenzene.
What is the SMILES notation for 2-(benzenesulfinyl)prop-2-enoxybenzene?
The canonical SMILES for 2-(benzenesulfinyl)prop-2-enoxybenzene is C=C(COc1ccccc1)S(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)prop-2-enoxybenzene?
The InChIKey is LNIBZBSHGNWFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-13(12-17-14-8-4-2-5-9-14)18(16)15-10-6-3-7-11-15/h2-11H,1,12H2.
What are the key properties of 2-(benzenesulfinyl)prop-2-enoxybenzene?
2-(benzenesulfinyl)prop-2-enoxybenzene has a molecular weight of 258.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)prop-2-enoxybenzene is sourced from PubChem (CID 14321115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).