3-benzoyloxypropanoic acid

C10H10O4 — CID 21263483

IUPAC3-benzoyloxypropanoic acid
SMILESO=C(O)CCOC(=O)c1ccccc1
InChIInChI=1S/C10H10O4/c11-9(12)6-7-14-10(13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChIKeyZFGVLYWWBSRAFN-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.32
Rot. Bonds4

About 3-benzoyloxypropanoic acid

3-benzoyloxypropanoic acid (PubChem CID 21263483) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-benzoyloxypropanoic acid.

Molecular Properties

Compound Name3-benzoyloxypropanoic acid
PubChem CID21263483
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name3-benzoyloxypropanoic acid
SMILESO=C(O)CCOC(=O)c1ccccc1
InChIInChI=1S/C10H10O4/c11-9(12)6-7-14-10(13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChIKeyZFGVLYWWBSRAFN-UHFFFAOYSA-N
XLogP1.32
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxobutyl benzoate
CID 10899468
2-benzoyloxyethyl benzoate;ethene
CID 67969171
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
azane;2-methoxyethyl benzoate
CID 174560204
benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate
CID 162019063
(111C)butyl benzoate
CID 11994383
2-(aminomethoxy)ethyl benzoate
CID 89228347
(5-hydroxy-3,4-dioxohexyl) benzoate
CID 54048606
2-benzoyloxyethyl 3,5-diaminobenzoate
CID 21249778
2-(methylamino)ethyl benzoate
CID 158644589
butyl benzoate;methane
CID 174523775

Frequently Asked Questions

What is the IUPAC name of 3-benzoyloxypropanoic acid?
The IUPAC name of 3-benzoyloxypropanoic acid (CID 21263483) is 3-benzoyloxypropanoic acid.
What is the SMILES notation for 3-benzoyloxypropanoic acid?
The canonical SMILES for 3-benzoyloxypropanoic acid is O=C(O)CCOC(=O)c1ccccc1.
What is the InChIKey of 3-benzoyloxypropanoic acid?
The InChIKey is ZFGVLYWWBSRAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-9(12)6-7-14-10(13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12).
What are the key properties of 3-benzoyloxypropanoic acid?
3-benzoyloxypropanoic acid has a molecular weight of 194.19 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyloxypropanoic acid is sourced from PubChem (CID 21263483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).