ethenyl 3-hydroxy-2-phenylpropanoate

C11H12O3 — CID 168863164

IUPACethenyl 3-hydroxy-2-phenylpropanoate
SMILESC=COC(=O)C(CO)c1ccccc1
InChIInChI=1S/C11H12O3/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h2-7,10,12H,1,8H2
InChIKeyLVCSXHAHAJJDDB-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.45
Rot. Bonds4

About ethenyl 3-hydroxy-2-phenylpropanoate

ethenyl 3-hydroxy-2-phenylpropanoate (PubChem CID 168863164) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is ethenyl 3-hydroxy-2-phenylpropanoate.

Molecular Properties

Compound Nameethenyl 3-hydroxy-2-phenylpropanoate
PubChem CID168863164
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Nameethenyl 3-hydroxy-2-phenylpropanoate
SMILESC=COC(=O)C(CO)c1ccccc1
InChIInChI=1S/C11H12O3/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h2-7,10,12H,1,8H2
InChIKeyLVCSXHAHAJJDDB-UHFFFAOYSA-N
XLogP1.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.45
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

ethenyl 2-phenylbutanoate
CID 10932238
ethenyl 2-phenylpropanoate
CID 11116578
[2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate
CID 67610750
ethenyl 2-acetyloxy-2-phenylacetate
CID 174358025
CID 87209027
CID 87209027
ethenyl (3R)-3-phenylbutanoate
CID 10487918
(3R)-4-oxo-3-phenyl-4-prop-2-enoxybutanoic acid
CID 97456126
methyl 4-hydroxy-2-methylidene-3-phenylbutanoate
CID 10632091
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
N-ethoxy-3-hydroxy-2-phenylpropanamide
CID 121218721
3-hydroxy-N-methyl-2-phenylpropanamide
CID 13215111
amino 2-phenylbutanoate
CID 21430295

Frequently Asked Questions

What is the IUPAC name of ethenyl 3-hydroxy-2-phenylpropanoate?
The IUPAC name of ethenyl 3-hydroxy-2-phenylpropanoate (CID 168863164) is ethenyl 3-hydroxy-2-phenylpropanoate.
What is the SMILES notation for ethenyl 3-hydroxy-2-phenylpropanoate?
The canonical SMILES for ethenyl 3-hydroxy-2-phenylpropanoate is C=COC(=O)C(CO)c1ccccc1.
What is the InChIKey of ethenyl 3-hydroxy-2-phenylpropanoate?
The InChIKey is LVCSXHAHAJJDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h2-7,10,12H,1,8H2.
What are the key properties of ethenyl 3-hydroxy-2-phenylpropanoate?
ethenyl 3-hydroxy-2-phenylpropanoate has a molecular weight of 192.21 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-hydroxy-2-phenylpropanoate is sourced from PubChem (CID 168863164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).