4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid

C10H10Cl2O5 — CID 171877633

IUPAC4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1cc(Cl)c(O)cc1Cl
InChIInChI=1S/C10H10Cl2O5/c11-5-2-7(13)6(12)1-4(5)10(17)8(14)3-9(15)16/h1-2,8,10,13-14,17H,3H2,(H,15,16)
InChIKeyWEKTVCBHEWHURZ-UHFFFAOYSA-N
MW281.09 g/mol
LogP1.57
Rot. Bonds4

About 4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid

4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid (PubChem CID 171877633) has the molecular formula C10H10Cl2O5 and a molecular weight of 281.09 g/mol. Its IUPAC name is 4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid
PubChem CID171877633
Molecular FormulaC10H10Cl2O5
Molecular Weight281.09 g/mol
Exact Mass279.99
IUPAC Name4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1cc(Cl)c(O)cc1Cl
InChIInChI=1S/C10H10Cl2O5/c11-5-2-7(13)6(12)1-4(5)10(17)8(14)3-9(15)16/h1-2,8,10,13-14,17H,3H2,(H,15,16)
InChIKeyWEKTVCBHEWHURZ-UHFFFAOYSA-N
XLogP1.57
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.09
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dichloro-4-hydroxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171874050
2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 119022274
4-(2-amino-4-chlorophenyl)-3,4-dihydroxybutanoic acid
CID 171877376
4-(2-chloro-4-cyanophenyl)-3,4-dihydroxybutanoic acid
CID 171877695
4-(2-chloro-5-methoxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877550
4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877631
4-(5-chloro-2-cyanophenyl)-3,4-dihydroxybutanoic acid
CID 171877710
4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanoic acid
CID 171877711
4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid
CID 171877758
4-(5-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877541
4-(2-amino-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877449
3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanoic acid
CID 171877297

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid (CID 171877633) is 4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid is O=C(O)CC(O)C(O)c1cc(Cl)c(O)cc1Cl.
What is the InChIKey of 4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid?
The InChIKey is WEKTVCBHEWHURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O5/c11-5-2-7(13)6(12)1-4(5)10(17)8(14)3-9(15)16/h1-2,8,10,13-14,17H,3H2,(H,15,16).
What are the key properties of 4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid?
4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid has a molecular weight of 281.09 g/mol, XLogP of 1.57, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171877633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).