[(E)-4-acetyloxy-3-(4-methylphenyl)but-2-enyl] acetate

C15H18O4 — CID 177462506

IUPAC[(E)-4-acetyloxy-3-(4-methylphenyl)but-2-enyl] acetate
SMILESCC(=O)OC/C=C(/COC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C15H18O4/c1-11-4-6-14(7-5-11)15(10-19-13(3)17)8-9-18-12(2)16/h4-8H,9-10H2,1-3H3/b15-8-
InChIKeyMEOVVKUIVUNGAM-NVNXTCNLSA-N
MW262.31 g/mol
LogP2.50
Rot. Bonds5

About [(E)-4-acetyloxy-3-(4-methylphenyl)but-2-enyl] acetate

[(E)-4-acetyloxy-3-(4-methylphenyl)but-2-enyl] acetate (PubChem CID 177462506) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is [(E)-4-acetyloxy-3-(4-methylphenyl)but-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-4-acetyloxy-3-(4-methylphenyl)but-2-enyl] acetate
PubChem CID177462506
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name[(E)-4-acetyloxy-3-(4-methylphenyl)but-2-enyl] acetate
SMILESCC(=O)OC/C=C(/COC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C15H18O4/c1-11-4-6-14(7-5-11)15(10-19-13(3)17)8-9-18-12(2)16/h4-8H,9-10H2,1-3H3/b15-8-
InChIKeyMEOVVKUIVUNGAM-NVNXTCNLSA-N
XLogP2.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-acetyloxy-3-(4-methylphenyl)but-2-enyl] acetate?
The IUPAC name of [(E)-4-acetyloxy-3-(4-methylphenyl)but-2-enyl] acetate (CID 177462506) is [(E)-4-acetyloxy-3-(4-methylphenyl)but-2-enyl] acetate.
What is the SMILES notation for [(E)-4-acetyloxy-3-(4-methylphenyl)but-2-enyl] acetate?
The canonical SMILES for [(E)-4-acetyloxy-3-(4-methylphenyl)but-2-enyl] acetate is CC(=O)OC/C=C(/COC(C)=O)c1ccc(C)cc1.
What is the InChIKey of [(E)-4-acetyloxy-3-(4-methylphenyl)but-2-enyl] acetate?
The InChIKey is MEOVVKUIVUNGAM-NVNXTCNLSA-N. The full InChI is InChI=1S/C15H18O4/c1-11-4-6-14(7-5-11)15(10-19-13(3)17)8-9-18-12(2)16/h4-8H,9-10H2,1-3H3/b15-8-.
What are the key properties of [(E)-4-acetyloxy-3-(4-methylphenyl)but-2-enyl] acetate?
[(E)-4-acetyloxy-3-(4-methylphenyl)but-2-enyl] acetate has a molecular weight of 262.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-acetyloxy-3-(4-methylphenyl)but-2-enyl] acetate is sourced from PubChem (CID 177462506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).