[(Z)-2-methoxy-3-phenylprop-1-enyl]sulfanylbenzene

C16H16OS — CID 134933070

IUPAC[(Z)-2-methoxy-3-phenylprop-1-enyl]sulfanylbenzene
SMILESCO/C(=C\Sc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16OS/c1-17-15(12-14-8-4-2-5-9-14)13-18-16-10-6-3-7-11-16/h2-11,13H,12H2,1H3/b15-13-
InChIKeyHWLVXEOWNCCLKM-SQFISAMPSA-N
MW256.37 g/mol
LogP4.51
Rot. Bonds5

About [(Z)-2-methoxy-3-phenylprop-1-enyl]sulfanylbenzene

[(Z)-2-methoxy-3-phenylprop-1-enyl]sulfanylbenzene (PubChem CID 134933070) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is [(Z)-2-methoxy-3-phenylprop-1-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(Z)-2-methoxy-3-phenylprop-1-enyl]sulfanylbenzene
PubChem CID134933070
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name[(Z)-2-methoxy-3-phenylprop-1-enyl]sulfanylbenzene
SMILESCO/C(=C\Sc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16OS/c1-17-15(12-14-8-4-2-5-9-14)13-18-16-10-6-3-7-11-16/h2-11,13H,12H2,1H3/b15-13-
InChIKeyHWLVXEOWNCCLKM-SQFISAMPSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.51
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

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(Z)-1-(4-fluorophenyl)-2-[methyl(phenyl)sulfonio]ethenolate
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Benzene, [(2,2-dimethoxy-1-phenylethyl)thio]-
CID 10061918
[(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene
CID 13183922
[(2-Ethoxy-2-phenylethyl)sulfanyl]benzene
CID 13207462
1-[(1S,2S)-2-methoxy-2-[(2E)-penta-2,4-dienyl]cyclohexyl]sulfanyl-4-methylbenzene
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3-Phenyl-3-(phenylthio)propan-1-ol
CID 12422970
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CID 10824220

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-methoxy-3-phenylprop-1-enyl]sulfanylbenzene?
The IUPAC name of [(Z)-2-methoxy-3-phenylprop-1-enyl]sulfanylbenzene (CID 134933070) is [(Z)-2-methoxy-3-phenylprop-1-enyl]sulfanylbenzene.
What is the SMILES notation for [(Z)-2-methoxy-3-phenylprop-1-enyl]sulfanylbenzene?
The canonical SMILES for [(Z)-2-methoxy-3-phenylprop-1-enyl]sulfanylbenzene is CO/C(=C\Sc1ccccc1)Cc1ccccc1.
What is the InChIKey of [(Z)-2-methoxy-3-phenylprop-1-enyl]sulfanylbenzene?
The InChIKey is HWLVXEOWNCCLKM-SQFISAMPSA-N. The full InChI is InChI=1S/C16H16OS/c1-17-15(12-14-8-4-2-5-9-14)13-18-16-10-6-3-7-11-16/h2-11,13H,12H2,1H3/b15-13-.
What are the key properties of [(Z)-2-methoxy-3-phenylprop-1-enyl]sulfanylbenzene?
[(Z)-2-methoxy-3-phenylprop-1-enyl]sulfanylbenzene has a molecular weight of 256.37 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-methoxy-3-phenylprop-1-enyl]sulfanylbenzene is sourced from PubChem (CID 134933070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).