[(E)-1-ethoxy-2-methylsulfinylethenyl]benzene

C11H14O2S — CID 121219020

IUPAC[(E)-1-ethoxy-2-methylsulfinylethenyl]benzene
SMILESCCO/C(=C/S(C)=O)c1ccccc1
InChIInChI=1S/C11H14O2S/c1-3-13-11(9-14(2)12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b11-9+
InChIKeyJOKLVJJCDMGVSM-PKNBQFBNSA-N
MW210.30 g/mol
LogP2.40
Rot. Bonds4

About [(E)-1-ethoxy-2-methylsulfinylethenyl]benzene

[(E)-1-ethoxy-2-methylsulfinylethenyl]benzene (PubChem CID 121219020) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is [(E)-1-ethoxy-2-methylsulfinylethenyl]benzene.

Molecular Properties

Compound Name[(E)-1-ethoxy-2-methylsulfinylethenyl]benzene
PubChem CID121219020
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name[(E)-1-ethoxy-2-methylsulfinylethenyl]benzene
SMILESCCO/C(=C/S(C)=O)c1ccccc1
InChIInChI=1S/C11H14O2S/c1-3-13-11(9-14(2)12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b11-9+
InChIKeyJOKLVJJCDMGVSM-PKNBQFBNSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-ethoxy-2-phenylethenyl]benzene
CID 12610888
[(1E)-1-ethoxybuta-1,3-dienyl]benzene
CID 10487466
3-ethoxy-3-phenylprop-2-enenitrile
CID 86091715
[(1E)-1-ethoxy-3-methylbuta-1,3-dienyl]benzene
CID 10559531
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
CID 158970570
CID 158970570
3,3-diethoxy-2-phenylprop-2-enoic acid
CID 129094256
ethyl 2-oxo-2-phenylacetate
CID 15349
[(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium
CID 11038038
ethyl (Z)-3-amino-2-phenylprop-2-enoate
CID 168921248
ethyl (Z)-3-phenylpent-3-enoate
CID 134988020
ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate
CID 12898650

Frequently Asked Questions

What is the IUPAC name of [(E)-1-ethoxy-2-methylsulfinylethenyl]benzene?
The IUPAC name of [(E)-1-ethoxy-2-methylsulfinylethenyl]benzene (CID 121219020) is [(E)-1-ethoxy-2-methylsulfinylethenyl]benzene.
What is the SMILES notation for [(E)-1-ethoxy-2-methylsulfinylethenyl]benzene?
The canonical SMILES for [(E)-1-ethoxy-2-methylsulfinylethenyl]benzene is CCO/C(=C/S(C)=O)c1ccccc1.
What is the InChIKey of [(E)-1-ethoxy-2-methylsulfinylethenyl]benzene?
The InChIKey is JOKLVJJCDMGVSM-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H14O2S/c1-3-13-11(9-14(2)12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b11-9+.
What are the key properties of [(E)-1-ethoxy-2-methylsulfinylethenyl]benzene?
[(E)-1-ethoxy-2-methylsulfinylethenyl]benzene has a molecular weight of 210.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-ethoxy-2-methylsulfinylethenyl]benzene is sourced from PubChem (CID 121219020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).