(4-ethenylphenyl) acetate;oxirane

C12H14O3 — CID 158488844

IUPAC(4-ethenylphenyl) acetate;oxirane
SMILESC1CO1.C=Cc1ccc(OC(C)=O)cc1
InChIInChI=1S/C10H10O2.C2H4O/c1-3-9-4-6-10(7-5-9)12-8(2)11;1-2-3-1/h3-7H,1H2,2H3;1-2H2
InChIKeyHILFCJPINPAGQF-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.27
Rot. Bonds2

About (4-ethenylphenyl) acetate;oxirane

(4-ethenylphenyl) acetate;oxirane (PubChem CID 158488844) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (4-ethenylphenyl) acetate;oxirane.

Molecular Properties

Compound Name(4-ethenylphenyl) acetate;oxirane
PubChem CID158488844
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(4-ethenylphenyl) acetate;oxirane
SMILESC1CO1.C=Cc1ccc(OC(C)=O)cc1
InChIInChI=1S/C10H10O2.C2H4O/c1-3-9-4-6-10(7-5-9)12-8(2)11;1-2-3-1/h3-7H,1H2,2H3;1-2H2
InChIKeyHILFCJPINPAGQF-UHFFFAOYSA-N
XLogP2.27
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl) acetate;oxirane?
The IUPAC name of (4-ethenylphenyl) acetate;oxirane (CID 158488844) is (4-ethenylphenyl) acetate;oxirane.
What is the SMILES notation for (4-ethenylphenyl) acetate;oxirane?
The canonical SMILES for (4-ethenylphenyl) acetate;oxirane is C1CO1.C=Cc1ccc(OC(C)=O)cc1.
What is the InChIKey of (4-ethenylphenyl) acetate;oxirane?
The InChIKey is HILFCJPINPAGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C2H4O/c1-3-9-4-6-10(7-5-9)12-8(2)11;1-2-3-1/h3-7H,1H2,2H3;1-2H2.
What are the key properties of (4-ethenylphenyl) acetate;oxirane?
(4-ethenylphenyl) acetate;oxirane has a molecular weight of 206.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl) acetate;oxirane is sourced from PubChem (CID 158488844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).