potassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate

C11H13KO5 — CID 77158836

IUPACpotassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate
SMILESCOCC(C)Oc1cc(O)cc(C(=O)[O-])c1.[K+]
InChIInChI=1S/C11H14O5.K/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/p-1
InChIKeyHDDUNNDANGPWBQ-UHFFFAOYSA-M
MW264.32 g/mol
LogP-2.83
Rot. Bonds5

About potassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate

potassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate (PubChem CID 77158836) has the molecular formula C11H13KO5 and a molecular weight of 264.32 g/mol. Its IUPAC name is potassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate.

Molecular Properties

Compound Namepotassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate
PubChem CID77158836
Molecular FormulaC11H13KO5
Molecular Weight264.32 g/mol
Exact Mass264.04
IUPAC Namepotassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate
SMILESCOCC(C)Oc1cc(O)cc(C(=O)[O-])c1.[K+]
InChIInChI=1S/C11H14O5.K/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/p-1
InChIKeyHDDUNNDANGPWBQ-UHFFFAOYSA-M
XLogP-2.83
TPSA78.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-2.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

potassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid
CID 173004850
methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate
CID 58852339
3-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyrazole-1-carboxylic acid
CID 66921093
tert-butyl 3-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyrazole-1-carboxylate
CID 59127185
tert-butyl N-[(Z)-3-amino-3-[3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoyl]iminoprop-1-enyl]carbamate
CID 143336258
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoate
CID 58265939
3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide
CID 143045887
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane
CID 161286829
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 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate
CID 71021525
3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide
CID 59346912
3-(3,4-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid
CID 66970037

Frequently Asked Questions

What is the IUPAC name of potassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate?
The IUPAC name of potassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate (CID 77158836) is potassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate.
What is the SMILES notation for potassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate?
The canonical SMILES for potassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate is COCC(C)Oc1cc(O)cc(C(=O)[O-])c1.[K+].
What is the InChIKey of potassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate?
The InChIKey is HDDUNNDANGPWBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14O5.K/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/p-1.
What are the key properties of potassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate?
potassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate has a molecular weight of 264.32 g/mol, XLogP of -2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate is sourced from PubChem (CID 77158836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).