2-(2-hydroxyphenyl)butanedioate

C10H8O5-2 — CID 78423930

IUPAC2-(2-hydroxyphenyl)butanedioate
SMILESO=C([O-])CC(C(=O)[O-])c1ccccc1O
InChIInChI=1S/C10H10O5/c11-8-4-2-1-3-6(8)7(10(14)15)5-9(12)13/h1-4,7,11H,5H2,(H,12,13)(H,14,15)/p-2
InChIKeyIIHNNMHVDJWLMG-UHFFFAOYSA-L
MW208.17 g/mol
LogP-1.63
Rot. Bonds4

About 2-(2-hydroxyphenyl)butanedioate

2-(2-hydroxyphenyl)butanedioate (PubChem CID 78423930) has the molecular formula C10H8O5-2 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)butanedioate.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)butanedioate
PubChem CID78423930
Molecular FormulaC10H8O5-2
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name2-(2-hydroxyphenyl)butanedioate
SMILESO=C([O-])CC(C(=O)[O-])c1ccccc1O
InChIInChI=1S/C10H10O5/c11-8-4-2-1-3-6(8)7(10(14)15)5-9(12)13/h1-4,7,11H,5H2,(H,12,13)(H,14,15)/p-2
InChIKeyIIHNNMHVDJWLMG-UHFFFAOYSA-L
XLogP-1.63
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate
CID 70117945
4-oxo-3-phenylpentanoate
CID 78435368
2-(2-chlorophenyl)butanoate
CID 22456439
2-[(1S)-1-carboxylatopropyl]benzoate
CID 7052967
3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate
CID 4614539
2-(4-nitrophenyl)butanedioate
CID 4632512
(3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate
CID 7062294
(2S,3R)-2-azaniumyl-3-phenylpentanedioate
CID 7086103
(3R)-3-azaniumyl-3-(2-ethylphenyl)propanoate
CID 7022685
(2R)-2-(4-methoxyphenyl)butanedioate
CID 6941687
2-[1,4-diamino-3-(2-hydroxyphenyl)butan-2-yl]phenol
CID 170875368
7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid
CID 140509835

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)butanedioate?
The IUPAC name of 2-(2-hydroxyphenyl)butanedioate (CID 78423930) is 2-(2-hydroxyphenyl)butanedioate.
What is the SMILES notation for 2-(2-hydroxyphenyl)butanedioate?
The canonical SMILES for 2-(2-hydroxyphenyl)butanedioate is O=C([O-])CC(C(=O)[O-])c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)butanedioate?
The InChIKey is IIHNNMHVDJWLMG-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H10O5/c11-8-4-2-1-3-6(8)7(10(14)15)5-9(12)13/h1-4,7,11H,5H2,(H,12,13)(H,14,15)/p-2.
What are the key properties of 2-(2-hydroxyphenyl)butanedioate?
2-(2-hydroxyphenyl)butanedioate has a molecular weight of 208.17 g/mol, XLogP of -1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)butanedioate is sourced from PubChem (CID 78423930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).