(2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid

C10H10Cl2O4 — CID 118141013

IUPAC(2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid
SMILESC[C@@](O)(c1ccc(Cl)cc1Cl)[C@@H](O)C(=O)O
InChIInChI=1S/C10H10Cl2O4/c1-10(16,8(13)9(14)15)6-3-2-5(11)4-7(6)12/h2-4,8,13,16H,1H3,(H,14,15)/t8-,10+/m0/s1
InChIKeyZUNNQSDLIDFNBL-WCBMZHEXSA-N
MW265.09 g/mol
LogP1.65
Rot. Bonds3

About (2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid

(2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid (PubChem CID 118141013) has the molecular formula C10H10Cl2O4 and a molecular weight of 265.09 g/mol. Its IUPAC name is (2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid
PubChem CID118141013
Molecular FormulaC10H10Cl2O4
Molecular Weight265.09 g/mol
Exact Mass264.00
IUPAC Name(2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid
SMILESC[C@@](O)(c1ccc(Cl)cc1Cl)[C@@H](O)C(=O)O
InChIInChI=1S/C10H10Cl2O4/c1-10(16,8(13)9(14)15)6-3-2-5(11)4-7(6)12/h2-4,8,13,16H,1H3,(H,14,15)/t8-,10+/m0/s1
InChIKeyZUNNQSDLIDFNBL-WCBMZHEXSA-N
XLogP1.65
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482
2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide
CID 110487685
2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid
CID 61024255
2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide
CID 54918479
2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride
CID 117048262
(1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol
CID 125471562
(E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol
CID 163987382
2-(azepan-1-yl)-2-(2,4-dichlorophenyl)propanoic acid
CID 61058559
3-(2,4-dichlorophenyl)sulfanyl-2,2-dimethylpropanoic acid
CID 22681630
2-chloro-2-(2,4-dichlorophenyl)propanal
CID 20571053
(2R)-2-(2,4-dichlorophenyl)-3-methylbutan-2-amine
CID 131150424
(2S,3S)-3-(2,4-dichlorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2762376

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid?
The IUPAC name of (2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid (CID 118141013) is (2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid.
What is the SMILES notation for (2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid?
The canonical SMILES for (2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid is C[C@@](O)(c1ccc(Cl)cc1Cl)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid?
The InChIKey is ZUNNQSDLIDFNBL-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H10Cl2O4/c1-10(16,8(13)9(14)15)6-3-2-5(11)4-7(6)12/h2-4,8,13,16H,1H3,(H,14,15)/t8-,10+/m0/s1.
What are the key properties of (2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid?
(2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid has a molecular weight of 265.09 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid is sourced from PubChem (CID 118141013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).