2-phenylethenyl 2,3-dihydroxypropanoate

C11H12O4 — CID 141412154

IUPAC2-phenylethenyl 2,3-dihydroxypropanoate
SMILESO=C(OC=Cc1ccccc1)C(O)CO
InChIInChI=1S/C11H12O4/c12-8-10(13)11(14)15-7-6-9-4-2-1-3-5-9/h1-7,10,12-13H,8H2
InChIKeyBLQHNKQOZGFSFF-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.55
Rot. Bonds4

About 2-phenylethenyl 2,3-dihydroxypropanoate

2-phenylethenyl 2,3-dihydroxypropanoate (PubChem CID 141412154) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-phenylethenyl 2,3-dihydroxypropanoate.

Molecular Properties

Compound Name2-phenylethenyl 2,3-dihydroxypropanoate
PubChem CID141412154
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-phenylethenyl 2,3-dihydroxypropanoate
SMILESO=C(OC=Cc1ccccc1)C(O)CO
InChIInChI=1S/C11H12O4/c12-8-10(13)11(14)15-7-6-9-4-2-1-3-5-9/h1-7,10,12-13H,8H2
InChIKeyBLQHNKQOZGFSFF-UHFFFAOYSA-N
XLogP0.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethenyl (2S)-2-methylbutanoate
CID 175008334
2-phenylethenyl 3-hydroxypropanoate
CID 174401435
2-O-amino 1-O-(2-phenylethenyl) oxalate
CID 174927397
3-oxo-3-(2-phenylethenoxy)propanoic acid
CID 89421619
2-phenylethenyl propanoate
CID 15502186
2-phenylethenyl 3-phenylprop-2-enoate
CID 56982570
2-phenylethenyl 2-oxobutanoate
CID 68843055
2,3-dihydroxypropanoyl benzoate
CID 87057662
2-phenylethenyl 3-amino-2-methylbut-2-enoate
CID 175322238
methyl (E)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 11107258
bis(3-phenylprop-2-enyl) 2-hydroxybutanedioate
CID 86005171
bis(2-phenylethenyl) (E)-2-aminobut-2-enedioate
CID 174499204

Frequently Asked Questions

What is the IUPAC name of 2-phenylethenyl 2,3-dihydroxypropanoate?
The IUPAC name of 2-phenylethenyl 2,3-dihydroxypropanoate (CID 141412154) is 2-phenylethenyl 2,3-dihydroxypropanoate.
What is the SMILES notation for 2-phenylethenyl 2,3-dihydroxypropanoate?
The canonical SMILES for 2-phenylethenyl 2,3-dihydroxypropanoate is O=C(OC=Cc1ccccc1)C(O)CO.
What is the InChIKey of 2-phenylethenyl 2,3-dihydroxypropanoate?
The InChIKey is BLQHNKQOZGFSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c12-8-10(13)11(14)15-7-6-9-4-2-1-3-5-9/h1-7,10,12-13H,8H2.
What are the key properties of 2-phenylethenyl 2,3-dihydroxypropanoate?
2-phenylethenyl 2,3-dihydroxypropanoate has a molecular weight of 208.21 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethenyl 2,3-dihydroxypropanoate is sourced from PubChem (CID 141412154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).