[(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene

C17H18OS — CID 101356614

IUPAC[(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene
SMILESCCOC/C=C(\Sc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18OS/c1-2-18-14-13-17(15-9-5-3-6-10-15)19-16-11-7-4-8-12-16/h3-13H,2,14H2,1H3/b17-13-
InChIKeyAUXZZCRGLLOFSW-LGMDPLHJSA-N
MW270.40 g/mol
LogP4.86
Rot. Bonds6

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

[(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene (PubChem CID 101356614) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is [(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene
PubChem CID101356614
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name[(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene
SMILESCCOC/C=C(\Sc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18OS/c1-2-18-14-13-17(15-9-5-3-6-10-15)19-16-11-7-4-8-12-16/h3-13H,2,14H2,1H3/b17-13-
InChIKeyAUXZZCRGLLOFSW-LGMDPLHJSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-phenylhept-1-enyl]sulfanylbenzene
CID 10924031
[(Z)-1-phenylsulfanylundec-1-enyl]benzene
CID 134932780
[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
CID 91738284
1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene
CID 101199839
3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine
CID 67646972
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
(E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one
CID 11254187
phenyl N,3-diphenyl-3-phenylsulfanylprop-2-enimidothioate
CID 67545329
[(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium
CID 102417247
ethoxyethane;1-phenylethenylbenzene
CID 69353422
[(Z)-hex-3-en-3-yl]sulfanylbenzene
CID 14935081
[(E)-4-hexadecoxybut-2-en-2-yl]benzene
CID 102429308

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene?
The IUPAC name of [(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene (CID 101356614) is [(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene.
What is the SMILES notation for [(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene?
The canonical SMILES for [(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene is CCOC/C=C(\Sc1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene?
The InChIKey is AUXZZCRGLLOFSW-LGMDPLHJSA-N. The full InChI is InChI=1S/C17H18OS/c1-2-18-14-13-17(15-9-5-3-6-10-15)19-16-11-7-4-8-12-16/h3-13H,2,14H2,1H3/b17-13-.
What are the key properties of [(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene?
[(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene has a molecular weight of 270.40 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene is sourced from PubChem (CID 101356614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).