potassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate

C15H11KO4 — CID 23713273

IUPACpotassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate
SMILESO=C([O-])C1Oc2ccccc2Cc2ccccc2O1.[K+]
InChIInChI=1S/C15H12O4.K/c16-14(17)15-18-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)19-15;/h1-8,15H,9H2,(H,16,17);/q;+1/p-1
InChIKeyOMTHYIPMUQAMAH-UHFFFAOYSA-M
MW294.35 g/mol
LogP-1.87
Rot. Bonds1

About potassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate

potassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate (PubChem CID 23713273) has the molecular formula C15H11KO4 and a molecular weight of 294.35 g/mol. Its IUPAC name is potassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate.

Molecular Properties

Compound Namepotassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate
PubChem CID23713273
Molecular FormulaC15H11KO4
Molecular Weight294.35 g/mol
Exact Mass294.03
IUPAC Namepotassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate
SMILESO=C([O-])C1Oc2ccccc2Cc2ccccc2O1.[K+]
InChIInChI=1S/C15H12O4.K/c16-14(17)15-18-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)19-15;/h1-8,15H,9H2,(H,16,17);/q;+1/p-1
InChIKeyOMTHYIPMUQAMAH-UHFFFAOYSA-M
XLogP-1.87
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-1.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid
CID 15679054
potassium 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 19205447
9H-xanthene
CID 7107
sodium 9H-xanthene-2-carboxylate
CID 141396491
sulfuric acid;9H-xanthene
CID 69337657
2-amino-4H-chromen-3-one
CID 154487259
(2S)-2-methyl-4H-chromen-3-one
CID 129362501
2-(3,5-dihydroxyphenyl)-4H-chromen-3-one
CID 146216391
(2S,3R)-3-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 163392607
2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
CID 73333079
11-undecyl-5H-benzo[d][1,3]benzodioxocine
CID 102512718
calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene
CID 175471981

Frequently Asked Questions

What is the IUPAC name of potassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate?
The IUPAC name of potassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate (CID 23713273) is potassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate.
What is the SMILES notation for potassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate?
The canonical SMILES for potassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate is O=C([O-])C1Oc2ccccc2Cc2ccccc2O1.[K+].
What is the InChIKey of potassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate?
The InChIKey is OMTHYIPMUQAMAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12O4.K/c16-14(17)15-18-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)19-15;/h1-8,15H,9H2,(H,16,17);/q;+1/p-1.
What are the key properties of potassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate?
potassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate has a molecular weight of 294.35 g/mol, XLogP of -1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate is sourced from PubChem (CID 23713273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).