1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol

C17H18OS — CID 75534520

IUPAC1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol
SMILESOC(CSC/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18OS/c18-17(16-11-5-2-6-12-16)14-19-13-7-10-15-8-3-1-4-9-15/h1-12,17-18H,13-14H2/b10-7+
InChIKeyATDOXORTDIZBKK-JXMROGBWSA-N
MW270.40 g/mol
LogP4.17
Rot. Bonds6

About 1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol

1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol (PubChem CID 75534520) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol.

Molecular Properties

Compound Name1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol
PubChem CID75534520
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol
SMILESOC(CSC/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18OS/c18-17(16-11-5-2-6-12-16)14-19-13-7-10-15-8-3-1-4-9-15/h1-12,17-18H,13-14H2/b10-7+
InChIKeyATDOXORTDIZBKK-JXMROGBWSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 23172742
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[(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene
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3-benzylsulfanylprop-1-enylbenzene
CID 71388292
ethyl 2-amino-3-(3-phenylprop-2-enylsulfanyl)propanoate
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1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride
CID 78411509
4-(3-phenylprop-2-enylsulfanylmethyl)phenol
CID 67683497
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CID 173164677
trihydroxy(3-phenylprop-2-enyl)phosphanium
CID 70142410
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CID 102293607

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol?
The IUPAC name of 1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol (CID 75534520) is 1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol.
What is the SMILES notation for 1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol?
The canonical SMILES for 1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol is OC(CSC/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol?
The InChIKey is ATDOXORTDIZBKK-JXMROGBWSA-N. The full InChI is InChI=1S/C17H18OS/c18-17(16-11-5-2-6-12-16)14-19-13-7-10-15-8-3-1-4-9-15/h1-12,17-18H,13-14H2/b10-7+.
What are the key properties of 1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol?
1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol has a molecular weight of 270.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol is sourced from PubChem (CID 75534520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).