2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid

C10H10O6 — CID 134285063

IUPAC2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid
SMILESCOc1cc(C(=O)OCC(=O)O)ccc1O
InChIInChI=1S/C10H10O6/c1-15-8-4-6(2-3-7(8)11)10(14)16-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChIKeyHOZKFLUWKHVATO-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.64
Rot. Bonds4

About 2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid

2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid (PubChem CID 134285063) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid
PubChem CID134285063
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid
SMILESCOc1cc(C(=O)OCC(=O)O)ccc1O
InChIInChI=1S/C10H10O6/c1-15-8-4-6(2-3-7(8)11)10(14)16-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChIKeyHOZKFLUWKHVATO-UHFFFAOYSA-N
XLogP0.64
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-hydroxy-3-methoxybenzoyl)oxypropyl 4-hydroxy-3-methoxybenzoate
CID 45376005
ethanol;ethyl 4-hydroxy-3-methoxybenzoate;4-hydroxy-3-methoxybenzoic acid
CID 162180996
4-(4-hydroxy-3-sulfanyloxybenzoyl)oxybutyl 4-hydroxy-3-methoxybenzoate
CID 88883544
3-phenylpropyl 4-hydroxy-3-methoxybenzoate
CID 11977890
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate
CID 2248948
2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid
CID 110465928
benzoic acid;4-hydroxy-3-methoxybenzoic acid
CID 159798679
3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid
CID 68549525
(4-hydroxy-3-methoxybenzoyl)carbamic acid
CID 140993168

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid?
The IUPAC name of 2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid (CID 134285063) is 2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid.
What is the SMILES notation for 2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid?
The canonical SMILES for 2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid is COc1cc(C(=O)OCC(=O)O)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid?
The InChIKey is HOZKFLUWKHVATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-15-8-4-6(2-3-7(8)11)10(14)16-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13).
What are the key properties of 2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid?
2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid has a molecular weight of 226.18 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid is sourced from PubChem (CID 134285063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).