prop-2-enyl 2-phenoxyacetate

C11H12O3 — CID 24117

IUPACprop-2-enyl 2-phenoxyacetate
SMILESC=CCOC(=O)COc1ccccc1
InChIInChI=1S/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2
InChIKeyVUFZVGQUAVDKMC-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.79
Rot. Bonds5

About prop-2-enyl 2-phenoxyacetate

prop-2-enyl 2-phenoxyacetate (PubChem CID 24117) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is prop-2-enyl 2-phenoxyacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-phenoxyacetate
PubChem CID24117
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Nameprop-2-enyl 2-phenoxyacetate
SMILESC=CCOC(=O)COc1ccccc1
InChIInChI=1S/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2
InChIKeyVUFZVGQUAVDKMC-UHFFFAOYSA-N
XLogP1.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenoxyethanol
CID 31236
Clofibrate
CID 2796
Phenyl glycidyl ether
CID 31217
Phenyl acetate
CID 31229
(4-Chlorophenoxy)acetic acid
CID 26229
Phenoxyacetic Acid
CID 19188
1-Phenoxy-2-propanol
CID 92839
2-(4-Methoxyphenoxy)propanoic acid
CID 151199
Phenetole
CID 7674
Phenoxyethyl isobutyrate
CID 61005
3-Chlorophenoxyacetic acid
CID 11497
Ethyl (p-tolyloxy)acetate
CID 4047281

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-phenoxyacetate?
The IUPAC name of prop-2-enyl 2-phenoxyacetate (CID 24117) is prop-2-enyl 2-phenoxyacetate.
What is the SMILES notation for prop-2-enyl 2-phenoxyacetate?
The canonical SMILES for prop-2-enyl 2-phenoxyacetate is C=CCOC(=O)COc1ccccc1.
What is the InChIKey of prop-2-enyl 2-phenoxyacetate?
The InChIKey is VUFZVGQUAVDKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2.
What are the key properties of prop-2-enyl 2-phenoxyacetate?
prop-2-enyl 2-phenoxyacetate has a molecular weight of 192.21 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-phenoxyacetate is sourced from PubChem (CID 24117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).