[3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol

C19H16OS — CID 54042628

IUPAC[3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol
SMILESOCc1cccc(C=Cc2cccc(-c3ccsc3)c2)c1
InChIInChI=1S/C19H16OS/c20-13-17-5-1-3-15(11-17)7-8-16-4-2-6-18(12-16)19-9-10-21-14-19/h1-12,14,20H,13H2
InChIKeyLNKLKNDFDPHQMG-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.08
Rot. Bonds4

About [3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol

[3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol (PubChem CID 54042628) has the molecular formula C19H16OS and a molecular weight of 292.40 g/mol. Its IUPAC name is [3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol
PubChem CID54042628
Molecular FormulaC19H16OS
Molecular Weight292.40 g/mol
Exact Mass292.09
IUPAC Name[3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol
SMILESOCc1cccc(C=Cc2cccc(-c3ccsc3)c2)c1
InChIInChI=1S/C19H16OS/c20-13-17-5-1-3-15(11-17)7-8-16-4-2-6-18(12-16)19-9-10-21-14-19/h1-12,14,20H,13H2
InChIKeyLNKLKNDFDPHQMG-UHFFFAOYSA-N
XLogP5.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol?
The IUPAC name of [3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol (CID 54042628) is [3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol.
What is the SMILES notation for [3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol?
The canonical SMILES for [3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol is OCc1cccc(C=Cc2cccc(-c3ccsc3)c2)c1.
What is the InChIKey of [3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol?
The InChIKey is LNKLKNDFDPHQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16OS/c20-13-17-5-1-3-15(11-17)7-8-16-4-2-6-18(12-16)19-9-10-21-14-19/h1-12,14,20H,13H2.
What are the key properties of [3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol?
[3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol has a molecular weight of 292.40 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol is sourced from PubChem (CID 54042628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).