3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid

C10H12O5 — CID 105465740

IUPAC3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid
SMILESO=C(O)CC(O)COc1ccccc1O
InChIInChI=1S/C10H12O5/c11-7(5-10(13)14)6-15-9-4-2-1-3-8(9)12/h1-4,7,11-12H,5-6H2,(H,13,14)
InChIKeyPUCANQVIGOQJAK-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.61
Rot. Bonds5

About 3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid

3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid (PubChem CID 105465740) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid
PubChem CID105465740
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid
SMILESO=C(O)CC(O)COc1ccccc1O
InChIInChI=1S/C10H12O5/c11-7(5-10(13)14)6-15-9-4-2-1-3-8(9)12/h1-4,7,11-12H,5-6H2,(H,13,14)
InChIKeyPUCANQVIGOQJAK-UHFFFAOYSA-N
XLogP0.61
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxybutoxy)phenol
CID 58593134
4-(4-fluorophenoxy)-3-hydroxybutanoic acid
CID 22564574
CID 131854846
CID 131854846
(3S)-3-amino-4-[2-(2,3-dihydroxypropoxy)phenyl]-4-oxobutanoic acid
CID 54086744
3-hydroxy-4-thiophen-2-yloxybutanoic acid
CID 69271793
2-(2,3-dihydroxypropoxy)benzoic acid;hydrate
CID 141305923
3-(2-hydroxyphenoxy)-2-methylpropanamide
CID 43312348
2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol
CID 117246123
4-(3-bromophenoxy)-3-hydroxybutanoic acid
CID 82093685
2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid
CID 117245713
(3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid
CID 69173053
2-hydroxybenzoic acid;3-hydroxybutanoic acid
CID 159574969

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid?
The IUPAC name of 3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid (CID 105465740) is 3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid?
The canonical SMILES for 3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid is O=C(O)CC(O)COc1ccccc1O.
What is the InChIKey of 3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid?
The InChIKey is PUCANQVIGOQJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c11-7(5-10(13)14)6-15-9-4-2-1-3-8(9)12/h1-4,7,11-12H,5-6H2,(H,13,14).
What are the key properties of 3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid?
3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid has a molecular weight of 212.20 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid is sourced from PubChem (CID 105465740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).