[(E)-3-(4-hydroxyphenyl)prop-2-enyl] acetate

C11H12O3 — CID 14320459

IUPAC[(E)-3-(4-hydroxyphenyl)prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1ccc(O)cc1
InChIInChI=1S/C11H12O3/c1-9(12)14-8-2-3-10-4-6-11(13)7-5-10/h2-7,13H,8H2,1H3/b3-2+
InChIKeyUUEPXFWSBUIUAZ-NSCUHMNNSA-N
MW192.21 g/mol
LogP1.97
Rot. Bonds3

About [(E)-3-(4-hydroxyphenyl)prop-2-enyl] acetate

[(E)-3-(4-hydroxyphenyl)prop-2-enyl] acetate (PubChem CID 14320459) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is [(E)-3-(4-hydroxyphenyl)prop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-(4-hydroxyphenyl)prop-2-enyl] acetate
PubChem CID14320459
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name[(E)-3-(4-hydroxyphenyl)prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1ccc(O)cc1
InChIInChI=1S/C11H12O3/c1-9(12)14-8-2-3-10-4-6-11(13)7-5-10/h2-7,13H,8H2,1H3/b3-2+
InChIKeyUUEPXFWSBUIUAZ-NSCUHMNNSA-N
XLogP1.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-hydroxyphenyl)prop-2-enyl] acetate?
The IUPAC name of [(E)-3-(4-hydroxyphenyl)prop-2-enyl] acetate (CID 14320459) is [(E)-3-(4-hydroxyphenyl)prop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-(4-hydroxyphenyl)prop-2-enyl] acetate?
The canonical SMILES for [(E)-3-(4-hydroxyphenyl)prop-2-enyl] acetate is CC(=O)OC/C=C/c1ccc(O)cc1.
What is the InChIKey of [(E)-3-(4-hydroxyphenyl)prop-2-enyl] acetate?
The InChIKey is UUEPXFWSBUIUAZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H12O3/c1-9(12)14-8-2-3-10-4-6-11(13)7-5-10/h2-7,13H,8H2,1H3/b3-2+.
What are the key properties of [(E)-3-(4-hydroxyphenyl)prop-2-enyl] acetate?
[(E)-3-(4-hydroxyphenyl)prop-2-enyl] acetate has a molecular weight of 192.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-hydroxyphenyl)prop-2-enyl] acetate is sourced from PubChem (CID 14320459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).