[4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate

C19H18O4 — CID 59301729

IUPAC[4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(/C=C/c2cc(C)cc(OC(C)=O)c2)cc1
InChIInChI=1S/C19H18O4/c1-13-10-17(12-19(11-13)23-15(3)21)5-4-16-6-8-18(9-7-16)22-14(2)20/h4-12H,1-3H3/b5-4+
InChIKeyFSLCKDAEAMFFMY-SNAWJCMRSA-N
MW310.35 g/mol
LogP4.02
Rot. Bonds4

About [4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate

[4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate (PubChem CID 59301729) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is [4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate
PubChem CID59301729
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name[4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(/C=C/c2cc(C)cc(OC(C)=O)c2)cc1
InChIInChI=1S/C19H18O4/c1-13-10-17(12-19(11-13)23-15(3)21)5-4-16-6-8-18(9-7-16)22-14(2)20/h4-12H,1-3H3/b5-4+
InChIKeyFSLCKDAEAMFFMY-SNAWJCMRSA-N
XLogP4.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(E)-2-(3-hydroxy-5-methylphenyl)ethenyl]phenyl] acetate
CID 126551286
[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate
CID 155042421
4-[4-[(E)-2-(3,5-diacetyloxyphenyl)ethenyl]phenoxy]-4-oxobutanoic acid
CID 159057426
[4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate
CID 6918862
[4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate
CID 140771666
[4-[(E)-2-(3,5-diacetyloxyphenyl)ethenyl]phenyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 86305893
tetrakis([4-[5-(4-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate);bis(palladium)
CID 173130070
[3-acetyloxy-5-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl] acetate
CID 19793819
(4-methylphenyl) acetate;zinc
CID 159589232
(4-ethenylphenyl) acetate;oxophosphane
CID 175041738
[3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate
CID 77188815
4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol
CID 58288557

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate?
The IUPAC name of [4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate (CID 59301729) is [4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate.
What is the SMILES notation for [4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate?
The canonical SMILES for [4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate is CC(=O)Oc1ccc(/C=C/c2cc(C)cc(OC(C)=O)c2)cc1.
What is the InChIKey of [4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate?
The InChIKey is FSLCKDAEAMFFMY-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H18O4/c1-13-10-17(12-19(11-13)23-15(3)21)5-4-16-6-8-18(9-7-16)22-14(2)20/h4-12H,1-3H3/b5-4+.
What are the key properties of [4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate?
[4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate has a molecular weight of 310.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate is sourced from PubChem (CID 59301729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).