[4-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate

C18H16O4 — CID 6504683

IUPAC[4-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(/C=C/c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C18H16O4/c1-13(19)21-17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)22-14(2)20/h3-12H,1-2H3/b4-3+
InChIKeyPJNPBRIHJXMRDS-ONEGZZNKSA-N
MW296.32 g/mol
LogP3.71
Rot. Bonds4

About [4-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate

[4-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate (PubChem CID 6504683) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is [4-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate
PubChem CID6504683
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name[4-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(/C=C/c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C18H16O4/c1-13(19)21-17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)22-14(2)20/h3-12H,1-2H3/b4-3+
InChIKeyPJNPBRIHJXMRDS-ONEGZZNKSA-N
XLogP3.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.71
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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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate?
The IUPAC name of [4-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate (CID 6504683) is [4-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate.
What is the SMILES notation for [4-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate?
The canonical SMILES for [4-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate is CC(=O)Oc1ccc(/C=C/c2ccc(OC(C)=O)cc2)cc1.
What is the InChIKey of [4-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate?
The InChIKey is PJNPBRIHJXMRDS-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H16O4/c1-13(19)21-17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)22-14(2)20/h3-12H,1-2H3/b4-3+.
What are the key properties of [4-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate?
[4-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate has a molecular weight of 296.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate is sourced from PubChem (CID 6504683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).