sodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate

C11H11Cl2NaO3 — CID 23688261

IUPACsodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate
SMILESO=C([O-])CCC(O)Cc1ccc(Cl)c(Cl)c1.[Na+]
InChIInChI=1S/C11H12Cl2O3.Na/c12-9-3-1-7(6-10(9)13)5-8(14)2-4-11(15)16;/h1,3,6,8,14H,2,4-5H2,(H,15,16);/q;+1/p-1
InChIKeyAKYNBIHALIYJOL-UHFFFAOYSA-M
MW285.10 g/mol
LogP-1.57
Rot. Bonds5

About sodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate

sodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate (PubChem CID 23688261) has the molecular formula C11H11Cl2NaO3 and a molecular weight of 285.10 g/mol. Its IUPAC name is sodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate.

Molecular Properties

Compound Namesodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate
PubChem CID23688261
Molecular FormulaC11H11Cl2NaO3
Molecular Weight285.10 g/mol
Exact Mass284.00
IUPAC Namesodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate
SMILESO=C([O-])CCC(O)Cc1ccc(Cl)c(Cl)c1.[Na+]
InChIInChI=1S/C11H12Cl2O3.Na/c12-9-3-1-7(6-10(9)13)5-8(14)2-4-11(15)16;/h1,3,6,8,14H,2,4-5H2,(H,15,16);/q;+1/p-1
InChIKeyAKYNBIHALIYJOL-UHFFFAOYSA-M
XLogP-1.57
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 5-1.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate?
The IUPAC name of sodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate (CID 23688261) is sodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate.
What is the SMILES notation for sodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate?
The canonical SMILES for sodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate is O=C([O-])CCC(O)Cc1ccc(Cl)c(Cl)c1.[Na+].
What is the InChIKey of sodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate?
The InChIKey is AKYNBIHALIYJOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12Cl2O3.Na/c12-9-3-1-7(6-10(9)13)5-8(14)2-4-11(15)16;/h1,3,6,8,14H,2,4-5H2,(H,15,16);/q;+1/p-1.
What are the key properties of sodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate?
sodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate has a molecular weight of 285.10 g/mol, XLogP of -1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate is sourced from PubChem (CID 23688261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).