[2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate

C19H17FO4 — CID 118481864

IUPAC[2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(/C=C/c1ccc(F)cc1)OC(C)=O
InChIInChI=1S/C19H17FO4/c1-13(21)23-18-6-4-3-5-17(18)19(24-14(2)22)12-9-15-7-10-16(20)11-8-15/h3-12,19H,1-2H3/b12-9+
InChIKeyCKAXKNZRACVBCE-FMIVXFBMSA-N
MW328.34 g/mol
LogP4.07
Rot. Bonds5

About [2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate

[2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate (PubChem CID 118481864) has the molecular formula C19H17FO4 and a molecular weight of 328.34 g/mol. Its IUPAC name is [2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate
PubChem CID118481864
Molecular FormulaC19H17FO4
Molecular Weight328.34 g/mol
Exact Mass328.11
IUPAC Name[2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(/C=C/c1ccc(F)cc1)OC(C)=O
InChIInChI=1S/C19H17FO4/c1-13(21)23-18-6-4-3-5-17(18)19(24-14(2)22)12-9-15-7-10-16(20)11-8-15/h3-12,19H,1-2H3/b12-9+
InChIKeyCKAXKNZRACVBCE-FMIVXFBMSA-N
XLogP4.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate?
The IUPAC name of [2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate (CID 118481864) is [2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate.
What is the SMILES notation for [2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate?
The canonical SMILES for [2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate is CC(=O)Oc1ccccc1C(/C=C/c1ccc(F)cc1)OC(C)=O.
What is the InChIKey of [2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate?
The InChIKey is CKAXKNZRACVBCE-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H17FO4/c1-13(21)23-18-6-4-3-5-17(18)19(24-14(2)22)12-9-15-7-10-16(20)11-8-15/h3-12,19H,1-2H3/b12-9+.
What are the key properties of [2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate?
[2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate has a molecular weight of 328.34 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate is sourced from PubChem (CID 118481864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).