1-ethoxyethenyl 2-phenylacetate

C12H14O3 — CID 11264222

IUPAC1-ethoxyethenyl 2-phenylacetate
SMILESC=C(OCC)OC(=O)Cc1ccccc1
InChIInChI=1S/C12H14O3/c1-3-14-10(2)15-12(13)9-11-7-5-4-6-8-11/h4-8H,2-3,9H2,1H3
InChIKeyDXRVHMIKRKHICQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.28
Rot. Bonds5

About 1-ethoxyethenyl 2-phenylacetate

1-ethoxyethenyl 2-phenylacetate (PubChem CID 11264222) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-ethoxyethenyl 2-phenylacetate.

Molecular Properties

Compound Name1-ethoxyethenyl 2-phenylacetate
PubChem CID11264222
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-ethoxyethenyl 2-phenylacetate
SMILESC=C(OCC)OC(=O)Cc1ccccc1
InChIInChI=1S/C12H14O3/c1-3-14-10(2)15-12(13)9-11-7-5-4-6-8-11/h4-8H,2-3,9H2,1H3
InChIKeyDXRVHMIKRKHICQ-UHFFFAOYSA-N
XLogP2.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenylacetic Acid
CID 999
2-Phenylpropionic acid
CID 10296
2-Phenylethyl propionate
CID 31225
Allyl phenylacetate
CID 15717
Methyl phenylacetate
CID 7559
2-Phenylethyl Acetate
CID 7654
Phenethyl phenylacetate
CID 7601
Phenethyl butyrate
CID 7658
Phenethyl hexanoate
CID 61384
Phenylethyl 2-methylbutyrate
CID 520148
Ethyl phenylacetate
CID 7590
Isopropyl Phenylacetate
CID 62553

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethenyl 2-phenylacetate?
The IUPAC name of 1-ethoxyethenyl 2-phenylacetate (CID 11264222) is 1-ethoxyethenyl 2-phenylacetate.
What is the SMILES notation for 1-ethoxyethenyl 2-phenylacetate?
The canonical SMILES for 1-ethoxyethenyl 2-phenylacetate is C=C(OCC)OC(=O)Cc1ccccc1.
What is the InChIKey of 1-ethoxyethenyl 2-phenylacetate?
The InChIKey is DXRVHMIKRKHICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-14-10(2)15-12(13)9-11-7-5-4-6-8-11/h4-8H,2-3,9H2,1H3.
What are the key properties of 1-ethoxyethenyl 2-phenylacetate?
1-ethoxyethenyl 2-phenylacetate has a molecular weight of 206.24 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethenyl 2-phenylacetate is sourced from PubChem (CID 11264222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).