[(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene

C17H18O — CID 100939369

IUPAC[(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene
SMILESCCO[C@H](/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O/c1-2-18-17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-14,17H,2H2,1H3/b14-13+/t17-/m1/s1
InChIKeyFVKQDLPJQHXHIY-TUQDCPSNSA-N
MW238.33 g/mol
LogP4.48
Rot. Bonds5

About [(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene

[(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene (PubChem CID 100939369) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is [(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene.

Molecular Properties

Compound Name[(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene
PubChem CID100939369
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name[(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene
SMILESCCO[C@H](/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O/c1-2-18-17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-14,17H,2H2,1H3/b14-13+/t17-/m1/s1
InChIKeyFVKQDLPJQHXHIY-TUQDCPSNSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-1-methoxy-3-phenylprop-2-enyl]benzene
CID 10353588
[(E)-1,3-diphenylprop-2-enoxy]benzene
CID 11289166
2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene
CID 102292544
(3,3-dichloro-1-ethoxyprop-2-enyl)benzene
CID 13032776
tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane
CID 135009658
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
(E,3R)-6,6-diethoxy-1-phenylhex-1-en-4-yn-3-ol
CID 101388650
[(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate
CID 175349156
diethyl 2-[(E,1R)-1,3-diphenylprop-2-enyl]propanedioate
CID 11002654
diethoxymethyl(2-phenylethenyl)silane
CID 71327103
(E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine
CID 45378867
N-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine
CID 45378873

Frequently Asked Questions

What is the IUPAC name of [(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene?
The IUPAC name of [(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene (CID 100939369) is [(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene.
What is the SMILES notation for [(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene?
The canonical SMILES for [(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene is CCO[C@H](/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene?
The InChIKey is FVKQDLPJQHXHIY-TUQDCPSNSA-N. The full InChI is InChI=1S/C17H18O/c1-2-18-17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-14,17H,2H2,1H3/b14-13+/t17-/m1/s1.
What are the key properties of [(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene?
[(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene has a molecular weight of 238.33 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene is sourced from PubChem (CID 100939369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).