[(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate

C18H18O2 — CID 118487629

IUPAC[(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate
SMILESCC(=O)O[C@H](/C=C/c1ccccc1)c1ccccc1C
InChIInChI=1S/C18H18O2/c1-14-8-6-7-11-17(14)18(20-15(2)19)13-12-16-9-4-3-5-10-16/h3-13,18H,1-2H3/b13-12+/t18-/m1/s1
InChIKeyCOZKBZDSKALYFT-QFQMRYFISA-N
MW266.34 g/mol
LogP4.31
Rot. Bonds4

About [(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate

[(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate (PubChem CID 118487629) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate
PubChem CID118487629
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name[(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate
SMILESCC(=O)O[C@H](/C=C/c1ccccc1)c1ccccc1C
InChIInChI=1S/C18H18O2/c1-14-8-6-7-11-17(14)18(20-15(2)19)13-12-16-9-4-3-5-10-16/h3-13,18H,1-2H3/b13-12+/t18-/m1/s1
InChIKeyCOZKBZDSKALYFT-QFQMRYFISA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate
CID 123697769
[2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate
CID 118481864
[2-[(E)-1-acetyloxy-3-[4-(fluoromethyl)phenyl]prop-2-enyl]phenyl] acetate
CID 122455233
[(E,2S)-1,1,1-trichloro-4-phenylbut-3-en-2-yl] acetate
CID 11808513
[(1S)-1-(2-methylphenyl)ethyl] acetate
CID 102370508
[(1R)-1-(2-methylphenyl)ethyl] acetate
CID 11062959
[(E,3R)-5-oxo-1-phenylpent-1-en-3-yl] acetate
CID 54768294
ethyl (E,3S,4R)-3-acetyloxy-4-methyl-6-phenylhex-5-enoate
CID 11392142
[(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate
CID 15447341
[(E,1S)-1-(benzenesulfonyl)-3-phenylprop-2-enyl] acetate
CID 102182706
methyl (2S)-2-acetyloxy-2-(2-methylphenyl)acetate
CID 125477072
[2,2,2-trichloro-1-[(E)-4-phenylbut-3-en-2-yl]oxyethyl] acetate
CID 101000329

Frequently Asked Questions

What is the IUPAC name of [(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate?
The IUPAC name of [(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate (CID 118487629) is [(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate.
What is the SMILES notation for [(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate?
The canonical SMILES for [(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate is CC(=O)O[C@H](/C=C/c1ccccc1)c1ccccc1C.
What is the InChIKey of [(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate?
The InChIKey is COZKBZDSKALYFT-QFQMRYFISA-N. The full InChI is InChI=1S/C18H18O2/c1-14-8-6-7-11-17(14)18(20-15(2)19)13-12-16-9-4-3-5-10-16/h3-13,18H,1-2H3/b13-12+/t18-/m1/s1.
What are the key properties of [(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate?
[(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate has a molecular weight of 266.34 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate is sourced from PubChem (CID 118487629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).