(2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid

C10H11ClO4 — CID 131860776

IUPAC(2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@@H](Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H11ClO4/c1-6(12)9(10(13)14)15-8-4-2-7(11)3-5-8/h2-6,9,12H,1H3,(H,13,14)/t6-,9-/m1/s1
InChIKeyDBPYVVABUXMHQN-HZGVNTEJSA-N
MW230.65 g/mol
LogP1.55
Rot. Bonds4

About (2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid

(2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid (PubChem CID 131860776) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is (2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid
PubChem CID131860776
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Name(2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@@H](Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H11ClO4/c1-6(12)9(10(13)14)15-8-4-2-7(11)3-5-8/h2-6,9,12H,1H3,(H,13,14)/t6-,9-/m1/s1
InChIKeyDBPYVVABUXMHQN-HZGVNTEJSA-N
XLogP1.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoate
CID 11436840
2-(4-cyanophenoxy)-3-hydroxybutanoic acid
CID 18408215
(2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid
CID 22890132
(2R,3R)-2-hydroxy-3-(4-methylphenoxy)butanedioic acid
CID 69002771
3-hydroxybutanoic acid;3-hydroxy-2-phenoxybutanoic acid
CID 157112950
(2S,3R)-2-[2-(4-chlorophenoxy)propanoylamino]-3-hydroxybutanoic acid
CID 104964891
2-(4-chlorophenoxy)propanoic acid;2,2-dichloropropanoic acid
CID 67571013
2-(4-chlorophenoxy)propanoate
CID 4556388
2-(4-chlorophenoxy)-4-(methylamino)butanoic acid
CID 112518417
3-acetyloxy-2-(4-chlorophenoxy)propanoic acid
CID 172798358
1-chloro-1-(4-chlorophenoxy)-3-methylbutan-2-one
CID 551336
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid?
The IUPAC name of (2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid (CID 131860776) is (2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid.
What is the SMILES notation for (2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid?
The canonical SMILES for (2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid is C[C@@H](O)[C@@H](Oc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid?
The InChIKey is DBPYVVABUXMHQN-HZGVNTEJSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-6(12)9(10(13)14)15-8-4-2-7(11)3-5-8/h2-6,9,12H,1H3,(H,13,14)/t6-,9-/m1/s1.
What are the key properties of (2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid?
(2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid has a molecular weight of 230.65 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid is sourced from PubChem (CID 131860776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).