potassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid

C11H15KO5 — CID 173004850

IUPACpotassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid
SMILESCOC[C@H](C)Oc1cc(O)cc(C(=O)O)c1.[H-].[K+]
InChIInChI=1S/C11H14O5.K.H/c1-7(6-15-2)16-10-4-8(11(13)14)3-9(12)5-10;;/h3-5,7,12H,6H2,1-2H3,(H,13,14);;/q;+1;-1/t7-;;/m0../s1
InChIKeyJLHIUUXFXXCBHS-KLXURFKVSA-N
MW266.33 g/mol
LogP-1.38
Rot. Bonds5

About potassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid

potassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid (PubChem CID 173004850) has the molecular formula C11H15KO5 and a molecular weight of 266.33 g/mol. Its IUPAC name is potassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid.

Molecular Properties

Compound Namepotassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid
PubChem CID173004850
Molecular FormulaC11H15KO5
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Namepotassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid
SMILESCOC[C@H](C)Oc1cc(O)cc(C(=O)O)c1.[H-].[K+]
InChIInChI=1S/C11H14O5.K.H/c1-7(6-15-2)16-10-4-8(11(13)14)3-9(12)5-10;;/h3-5,7,12H,6H2,1-2H3,(H,13,14);;/q;+1;-1/t7-;;/m0../s1
InChIKeyJLHIUUXFXXCBHS-KLXURFKVSA-N
XLogP-1.38
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

potassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate
CID 77158836
3-(3,4-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid
CID 66970037
ethane;3-[(2S)-1-methoxypropan-2-yl]oxy-5-(2-phenylethoxy)benzoic acid
CID 143606642
3-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyrazole-1-carboxylic acid
CID 66921093
3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid;[(2R)-1-methoxypropan-2-yl] 4-methylbenzenesulfonate;methyl 3-benzoyloxy-5-hydroxybenzoate;methyl 3-benzoyloxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoate;methyl 3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoate
CID 160909766
methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate
CID 58852339
3-[4-(azetidine-1-carbonyl)phenoxy]-5-(1-methoxypropan-2-yloxy)benzoic acid
CID 122417329
tert-butyl 3-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyrazole-1-carboxylate
CID 59127185
3-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid
CID 86667874
tert-butyl N-[(Z)-3-amino-3-[3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoyl]iminoprop-1-enyl]carbamate
CID 143336258
4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid
CID 66439068
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoate
CID 58265939

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid?
The IUPAC name of potassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid (CID 173004850) is potassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid.
What is the SMILES notation for potassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid?
The canonical SMILES for potassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid is COC[C@H](C)Oc1cc(O)cc(C(=O)O)c1.[H-].[K+].
What is the InChIKey of potassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid?
The InChIKey is JLHIUUXFXXCBHS-KLXURFKVSA-N. The full InChI is InChI=1S/C11H14O5.K.H/c1-7(6-15-2)16-10-4-8(11(13)14)3-9(12)5-10;;/h3-5,7,12H,6H2,1-2H3,(H,13,14);;/q;+1;-1/t7-;;/m0../s1.
What are the key properties of potassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid?
potassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid has a molecular weight of 266.33 g/mol, XLogP of -1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid is sourced from PubChem (CID 173004850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).