2,3-dihydroxypropanoyl benzoate

C10H10O5 — CID 87057662

IUPAC2,3-dihydroxypropanoyl benzoate
SMILESO=C(OC(=O)C(O)CO)c1ccccc1
InChIInChI=1S/C10H10O5/c11-6-8(12)10(14)15-9(13)7-4-2-1-3-5-7/h1-5,8,11-12H,6H2
InChIKeyFWJVFSWAPSATNA-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.28
Rot. Bonds3

About 2,3-dihydroxypropanoyl benzoate

2,3-dihydroxypropanoyl benzoate (PubChem CID 87057662) has the molecular formula C10H10O5 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2,3-dihydroxypropanoyl benzoate.

Molecular Properties

Compound Name2,3-dihydroxypropanoyl benzoate
PubChem CID87057662
Molecular FormulaC10H10O5
Molecular Weight210.19 g/mol
Exact Mass210.05
IUPAC Name2,3-dihydroxypropanoyl benzoate
SMILESO=C(OC(=O)C(O)CO)c1ccccc1
InChIInChI=1S/C10H10O5/c11-6-8(12)10(14)15-9(13)7-4-2-1-3-5-7/h1-5,8,11-12H,6H2
InChIKeyFWJVFSWAPSATNA-UHFFFAOYSA-N
XLogP-0.28
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis(2,3-dihydroxypropanoyl) benzene-1,3-dicarboxylate
CID 141266560
dibenzoyl 2,3-dihydroxybutanedioate;2,3-dihydroxybutanedioic acid
CID 158220353
[(2R)-2-hydroxy-2-phenylacetyl] benzoate
CID 139898238
dibenzoyl 2,3-dihydroxybutanedioate;(2S)-2-hydroxybutanedioic acid
CID 175757584
bis(4-benzoyloxy-2,3-dihydroxy-4-oxobutanoic acid);hydrate
CID 174359329
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
methyl benzoate;propane-1,2,3-triol
CID 141209730
3-(2-hydroxybutanoyloxycarbonyl)benzoic acid
CID 174611805
potassium hydroxymethyl benzoate
CID 22993318
[(2S)-2-amino-5-methylhexanoyl] benzoate
CID 131713778
ethyl benzoate;methoxymethane;propane-1,2-diol
CID 70372869
2,3-dihydroxypropyl benzoate dibenzoate
CID 20976561

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropanoyl benzoate?
The IUPAC name of 2,3-dihydroxypropanoyl benzoate (CID 87057662) is 2,3-dihydroxypropanoyl benzoate.
What is the SMILES notation for 2,3-dihydroxypropanoyl benzoate?
The canonical SMILES for 2,3-dihydroxypropanoyl benzoate is O=C(OC(=O)C(O)CO)c1ccccc1.
What is the InChIKey of 2,3-dihydroxypropanoyl benzoate?
The InChIKey is FWJVFSWAPSATNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c11-6-8(12)10(14)15-9(13)7-4-2-1-3-5-7/h1-5,8,11-12H,6H2.
What are the key properties of 2,3-dihydroxypropanoyl benzoate?
2,3-dihydroxypropanoyl benzoate has a molecular weight of 210.19 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropanoyl benzoate is sourced from PubChem (CID 87057662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).