(2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid

C12H16O4 — CID 67330624

IUPAC(2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid
SMILESCC[C@@](O)(Cc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C12H16O4/c1-3-12(15,11(13)14)8-9-4-6-10(16-2)7-5-9/h4-7,15H,3,8H2,1-2H3,(H,13,14)/t12-/m1/s1
InChIKeyRYDWMMCUKFUZDY-GFCCVEGCSA-N
MW224.26 g/mol
LogP1.46
Rot. Bonds5

About (2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid

(2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid (PubChem CID 67330624) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid
PubChem CID67330624
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name(2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid
SMILESCC[C@@](O)(Cc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C12H16O4/c1-3-12(15,11(13)14)8-9-4-6-10(16-2)7-5-9/h4-7,15H,3,8H2,1-2H3,(H,13,14)/t12-/m1/s1
InChIKeyRYDWMMCUKFUZDY-GFCCVEGCSA-N
XLogP1.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
(2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
CID 66960054
2-benzyl-2-hydroxybutanoic acid
CID 22013212
2-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxobutanoic acid
CID 70261554
2-cyano-3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 82127435
2,2-difluoro-3-hydroxy-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 55167754
2-[(4-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]propanedioic acid
CID 58403888
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542
2-[(4-methoxyphenyl)methyl]-2-methylbut-3-enoic acid
CID 102639505
2-hydroxy-2-[2-(4-methoxyphenyl)ethyl]-4-oxopentanoic acid;hydrate
CID 131886062
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid?
The IUPAC name of (2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid (CID 67330624) is (2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid?
The canonical SMILES for (2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid is CC[C@@](O)(Cc1ccc(OC)cc1)C(=O)O.
What is the InChIKey of (2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid?
The InChIKey is RYDWMMCUKFUZDY-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16O4/c1-3-12(15,11(13)14)8-9-4-6-10(16-2)7-5-9/h4-7,15H,3,8H2,1-2H3,(H,13,14)/t12-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid?
(2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid is sourced from PubChem (CID 67330624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).