ethenyl acetate;2-phenylacetic acid

C12H14O4 — CID 158502406

IUPACethenyl acetate;2-phenylacetic acid
SMILESC=COC(C)=O.O=C(O)Cc1ccccc1
InChIInChI=1S/C8H8O2.C4H6O2/c9-8(10)6-7-4-2-1-3-5-7;1-3-6-4(2)5/h1-5H,6H2,(H,9,10);3H,1H2,2H3
InChIKeyHKAZNKUTORXVJV-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.01
Rot. Bonds3

About ethenyl acetate;2-phenylacetic acid

ethenyl acetate;2-phenylacetic acid (PubChem CID 158502406) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethenyl acetate;2-phenylacetic acid.

Molecular Properties

Compound Nameethenyl acetate;2-phenylacetic acid
PubChem CID158502406
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Nameethenyl acetate;2-phenylacetic acid
SMILESC=COC(C)=O.O=C(O)Cc1ccccc1
InChIInChI=1S/C8H8O2.C4H6O2/c9-8(10)6-7-4-2-1-3-5-7;1-3-6-4(2)5/h1-5H,6H2,(H,9,10);3H,1H2,2H3
InChIKeyHKAZNKUTORXVJV-UHFFFAOYSA-N
XLogP2.01
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethenoxymethylbenzene;ethenyl acetate
CID 70503458
buta-1,3-diene;ethenyl acetate;prop-2-enylbenzene
CID 175320174
formaldehyde;2-phenylacetic acid
CID 70638018
1-chloroethenylbenzene;ethenyl acetate
CID 174886349
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
chloroethene;ethenyl acetate;phenol
CID 162207546
chloro hypochlorite;2-phenylacetic acid
CID 174297587
calcium;hydride;2-phenylacetic acid
CID 173132712
ethenyl acetate;1-phenylethanol
CID 170349745

Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;2-phenylacetic acid?
The IUPAC name of ethenyl acetate;2-phenylacetic acid (CID 158502406) is ethenyl acetate;2-phenylacetic acid.
What is the SMILES notation for ethenyl acetate;2-phenylacetic acid?
The canonical SMILES for ethenyl acetate;2-phenylacetic acid is C=COC(C)=O.O=C(O)Cc1ccccc1.
What is the InChIKey of ethenyl acetate;2-phenylacetic acid?
The InChIKey is HKAZNKUTORXVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C4H6O2/c9-8(10)6-7-4-2-1-3-5-7;1-3-6-4(2)5/h1-5H,6H2,(H,9,10);3H,1H2,2H3.
What are the key properties of ethenyl acetate;2-phenylacetic acid?
ethenyl acetate;2-phenylacetic acid has a molecular weight of 222.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;2-phenylacetic acid is sourced from PubChem (CID 158502406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).