[(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene

C16H16OS — CID 13183922

IUPAC[(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene
SMILESCO/C(Sc1ccccc1)=C(/C)c1ccccc1
InChIInChI=1S/C16H16OS/c1-13(14-9-5-3-6-10-14)16(17-2)18-15-11-7-4-8-12-15/h3-12H,1-2H3/b16-13+
InChIKeyGGQQVZVUEXWHKO-DTQAZKPQSA-N
MW256.37 g/mol
LogP4.81
Rot. Bonds4

About [(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene

[(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene (PubChem CID 13183922) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is [(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene
PubChem CID13183922
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name[(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene
SMILESCO/C(Sc1ccccc1)=C(/C)c1ccccc1
InChIInChI=1S/C16H16OS/c1-13(14-9-5-3-6-10-14)16(17-2)18-15-11-7-4-8-12-15/h3-12H,1-2H3/b16-13+
InChIKeyGGQQVZVUEXWHKO-DTQAZKPQSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.81
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

Alpha,alpha-dimethylbenzyl phenyl sulfide
CID 576894
[(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene
CID 15156796
[(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene
CID 12555308
1-Methyl-4-(2-phenylsulfanylpropan-2-yl)benzene
CID 59356782
[(E)-4-ethoxy-5,5,5-trifluoro-1-phenylpent-3-en-1-yn-3-yl]sulfanylbenzene
CID 10641442
1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene
CID 101481706
[(Z)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene
CID 134988565
[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanylbenzene
CID 135004220
[(E)-2-phenylsulfanyl-but-1-enyl]-benzene
CID 5808548
1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene
CID 5892855
[(Z)-2-phenylsulfanyl-hex-1-enyl]-benzene
CID 5905585
[(E)-1-phenylprop-1-enyl]sulfanylbenzene
CID 5913128

Frequently Asked Questions

What is the IUPAC name of [(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene?
The IUPAC name of [(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene (CID 13183922) is [(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene.
What is the SMILES notation for [(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene?
The canonical SMILES for [(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene is CO/C(Sc1ccccc1)=C(/C)c1ccccc1.
What is the InChIKey of [(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene?
The InChIKey is GGQQVZVUEXWHKO-DTQAZKPQSA-N. The full InChI is InChI=1S/C16H16OS/c1-13(14-9-5-3-6-10-14)16(17-2)18-15-11-7-4-8-12-15/h3-12H,1-2H3/b16-13+.
What are the key properties of [(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene?
[(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene has a molecular weight of 256.37 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene is sourced from PubChem (CID 13183922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).