(2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid

C11H12O6 — CID 23757219

IUPAC(2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
SMILESO=C(O)C[C@](O)(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H12O6/c12-8-3-1-7(2-4-8)5-11(17,10(15)16)6-9(13)14/h1-4,12,17H,5-6H2,(H,13,14)(H,15,16)/t11-/m1/s1
InChIKeyXLGKDRSWPCQYAB-LLVKDONJSA-N
MW240.21 g/mol
LogP0.23
Rot. Bonds5

About (2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid

(2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid (PubChem CID 23757219) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
PubChem CID23757219
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Name(2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
SMILESO=C(O)C[C@](O)(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H12O6/c12-8-3-1-7(2-4-8)5-11(17,10(15)16)6-9(13)14/h1-4,12,17H,5-6H2,(H,13,14)(H,15,16)/t11-/m1/s1
InChIKeyXLGKDRSWPCQYAB-LLVKDONJSA-N
XLogP0.23
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid?
The IUPAC name of (2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid (CID 23757219) is (2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid?
The canonical SMILES for (2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid is O=C(O)C[C@](O)(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid?
The InChIKey is XLGKDRSWPCQYAB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12O6/c12-8-3-1-7(2-4-8)5-11(17,10(15)16)6-9(13)14/h1-4,12,17H,5-6H2,(H,13,14)(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid?
(2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid has a molecular weight of 240.21 g/mol, XLogP of 0.23, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid is sourced from PubChem (CID 23757219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).