2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene

C20H18OS — CID 102292544

IUPAC2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene
SMILESC(=C/[C@@H](OCc1cccs1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C20H18OS/c1-3-8-17(9-4-1)13-14-20(18-10-5-2-6-11-18)21-16-19-12-7-15-22-19/h1-15,20H,16H2/b14-13+/t20-/m1/s1
InChIKeySEDDMCYESOVSPK-FBRRREGBSA-N
MW306.43 g/mol
LogP5.72
Rot. Bonds6

About 2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene

2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene (PubChem CID 102292544) has the molecular formula C20H18OS and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene.

Molecular Properties

Compound Name2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene
PubChem CID102292544
Molecular FormulaC20H18OS
Molecular Weight306.43 g/mol
Exact Mass306.11
IUPAC Name2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene
SMILESC(=C/[C@@H](OCc1cccs1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C20H18OS/c1-3-8-17(9-4-1)13-14-20(18-10-5-2-6-11-18)21-16-19-12-7-15-22-19/h1-15,20H,16H2/b14-13+/t20-/m1/s1
InChIKeySEDDMCYESOVSPK-FBRRREGBSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene?
The IUPAC name of 2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene (CID 102292544) is 2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene.
What is the SMILES notation for 2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene?
The canonical SMILES for 2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene is C(=C/[C@@H](OCc1cccs1)c1ccccc1)\c1ccccc1.
What is the InChIKey of 2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene?
The InChIKey is SEDDMCYESOVSPK-FBRRREGBSA-N. The full InChI is InChI=1S/C20H18OS/c1-3-8-17(9-4-1)13-14-20(18-10-5-2-6-11-18)21-16-19-12-7-15-22-19/h1-15,20H,16H2/b14-13+/t20-/m1/s1.
What are the key properties of 2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene?
2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene has a molecular weight of 306.43 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene is sourced from PubChem (CID 102292544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).