sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride

C10H12ClNaO3 — CID 132988119

IUPACsodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride
SMILESO=C(O)CC(CO)c1ccc(Cl)cc1.[H-].[Na+]
InChIInChI=1S/C10H11ClO3.Na.H/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;;/h1-4,8,12H,5-6H2,(H,13,14);;/q;+1;-1
InChIKeyOXANQWGBMZCEGL-UHFFFAOYSA-N
MW238.65 g/mol
LogP-0.99
Rot. Bonds4

About sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride

sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride (PubChem CID 132988119) has the molecular formula C10H12ClNaO3 and a molecular weight of 238.65 g/mol. Its IUPAC name is sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride.

Molecular Properties

Compound Namesodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride
PubChem CID132988119
Molecular FormulaC10H12ClNaO3
Molecular Weight238.65 g/mol
Exact Mass238.04
IUPAC Namesodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride
SMILESO=C(O)CC(CO)c1ccc(Cl)cc1.[H-].[Na+]
InChIInChI=1S/C10H11ClO3.Na.H/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;;/h1-4,8,12H,5-6H2,(H,13,14);;/q;+1;-1
InChIKeyOXANQWGBMZCEGL-UHFFFAOYSA-N
XLogP-0.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-4-cyanobutanoic acid
CID 83708650
3-(4-chlorophenyl)-5,5-dimethylhexanoic acid
CID 82298975
(3S)-3-(4-chlorophenyl)-5-methoxy-5-oxopentanoic acid
CID 44516385
3-(4-chlorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82132170
3-(4-chlorophenyl)-4-(ethylamino)butanoic acid
CID 142142962
(3R)-4-azido-3-(4-chlorophenyl)butanoic acid
CID 10999111
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
3-(3,5-dichlorophenyl)pentanedioic acid
CID 10678120
3-amino-3-(4-chlorophenyl)propanoic acid;azane
CID 175752194
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid
CID 66759860
2-(4-chlorophenyl)-3-methoxypropan-1-ol
CID 103985044

Frequently Asked Questions

What is the IUPAC name of sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride?
The IUPAC name of sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride (CID 132988119) is sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride.
What is the SMILES notation for sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride?
The canonical SMILES for sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride is O=C(O)CC(CO)c1ccc(Cl)cc1.[H-].[Na+].
What is the InChIKey of sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride?
The InChIKey is OXANQWGBMZCEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3.Na.H/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;;/h1-4,8,12H,5-6H2,(H,13,14);;/q;+1;-1.
What are the key properties of sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride?
sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride has a molecular weight of 238.65 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride is sourced from PubChem (CID 132988119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).