2-phenylethenyl 3-hydroxypropanoate

C11H12O3 — CID 174401435

IUPAC2-phenylethenyl 3-hydroxypropanoate
SMILESO=C(CCO)OC=Cc1ccccc1
InChIInChI=1S/C11H12O3/c12-8-6-11(13)14-9-7-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2
InChIKeyDPLUDWLRDRHNBQ-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.58
Rot. Bonds4

About 2-phenylethenyl 3-hydroxypropanoate

2-phenylethenyl 3-hydroxypropanoate (PubChem CID 174401435) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-phenylethenyl 3-hydroxypropanoate.

Molecular Properties

Compound Name2-phenylethenyl 3-hydroxypropanoate
PubChem CID174401435
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-phenylethenyl 3-hydroxypropanoate
SMILESO=C(CCO)OC=Cc1ccccc1
InChIInChI=1S/C11H12O3/c12-8-6-11(13)14-9-7-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2
InChIKeyDPLUDWLRDRHNBQ-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
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

3-oxo-3-(2-phenylethenoxy)propanoic acid
CID 89421619
2-phenylethenyl propanoate
CID 15502186
[(Z)-2-phenylethenyl] hexadecanoate
CID 177448734
2-phenylethenyl 3-(2,3-dihydroxyphenyl)propanoate
CID 174542886
2-phenylethenyl 3-(3,4-dihydroxyphenyl)propanoate
CID 174542876
2-phenylethenyl 2-oxobutanoate
CID 68843055
2-phenylethenyl 2,3-dihydroxypropanoate
CID 141412154
2-phenylethenyl 3-phenylprop-2-enoate
CID 56982570
2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate
CID 174542890
2-O-amino 1-O-(2-phenylethenyl) oxalate
CID 174927397
2-aminoethanol;tris(2-phenylethenyl) phosphate
CID 159729962
2-phenylethenyl (2S)-2-methylbutanoate
CID 175008334

Frequently Asked Questions

What is the IUPAC name of 2-phenylethenyl 3-hydroxypropanoate?
The IUPAC name of 2-phenylethenyl 3-hydroxypropanoate (CID 174401435) is 2-phenylethenyl 3-hydroxypropanoate.
What is the SMILES notation for 2-phenylethenyl 3-hydroxypropanoate?
The canonical SMILES for 2-phenylethenyl 3-hydroxypropanoate is O=C(CCO)OC=Cc1ccccc1.
What is the InChIKey of 2-phenylethenyl 3-hydroxypropanoate?
The InChIKey is DPLUDWLRDRHNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-8-6-11(13)14-9-7-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2.
What are the key properties of 2-phenylethenyl 3-hydroxypropanoate?
2-phenylethenyl 3-hydroxypropanoate has a molecular weight of 192.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethenyl 3-hydroxypropanoate is sourced from PubChem (CID 174401435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).