2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid

C10H12O5 — CID 90820561

IUPAC2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid
SMILESO=C(O)C(O)Cc1ccc(O)c(CO)c1
InChIInChI=1S/C10H12O5/c11-5-7-3-6(1-2-8(7)12)4-9(13)10(14)15/h1-3,9,11-13H,4-5H2,(H,14,15)
InChIKeyYVLXLQCSYPILDX-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.13
Rot. Bonds4

About 2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid

2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid (PubChem CID 90820561) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid
PubChem CID90820561
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid
SMILESO=C(O)C(O)Cc1ccc(O)c(CO)c1
InChIInChI=1S/C10H12O5/c11-5-7-3-6(1-2-8(7)12)4-9(13)10(14)15/h1-3,9,11-13H,4-5H2,(H,14,15)
InChIKeyYVLXLQCSYPILDX-UHFFFAOYSA-N
XLogP-0.13
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid
CID 10081872
2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoic acid
CID 131837132
3-[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]-2-hydroxypropanoic acid
CID 131837143
(2S)-2-azaniumyl-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoate
CID 59620882
3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid
CID 139243427
3-(3,5-dihydroxyphenyl)-2-hydroxypropanoic acid
CID 139243425
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid
CID 146556898
(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
CID 14163336
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 90660840
(2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid
CID 150376143

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid?
The IUPAC name of 2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid (CID 90820561) is 2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid is O=C(O)C(O)Cc1ccc(O)c(CO)c1.
What is the InChIKey of 2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid?
The InChIKey is YVLXLQCSYPILDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c11-5-7-3-6(1-2-8(7)12)4-9(13)10(14)15/h1-3,9,11-13H,4-5H2,(H,14,15).
What are the key properties of 2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid?
2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid has a molecular weight of 212.20 g/mol, XLogP of -0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid is sourced from PubChem (CID 90820561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).