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

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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).