potassium 2-cyclohexyl-9H-xanthene-1-carboxylate

C20H19KO3 — CID 70391550

IUPACpotassium 2-cyclohexyl-9H-xanthene-1-carboxylate
SMILESO=C([O-])c1c(C2CCCCC2)ccc2c1Cc1ccccc1O2.[K+]
InChIInChI=1S/C20H20O3.K/c21-20(22)19-15(13-6-2-1-3-7-13)10-11-18-16(19)12-14-8-4-5-9-17(14)23-18;/h4-5,8-11,13H,1-3,6-7,12H2,(H,21,22);/q;+1/p-1
InChIKeyUWGFQPUHGPSNFN-UHFFFAOYSA-M
MW346.47 g/mol
LogP0.80
Rot. Bonds2

About potassium 2-cyclohexyl-9H-xanthene-1-carboxylate

potassium 2-cyclohexyl-9H-xanthene-1-carboxylate (PubChem CID 70391550) has the molecular formula C20H19KO3 and a molecular weight of 346.47 g/mol. Its IUPAC name is potassium 2-cyclohexyl-9H-xanthene-1-carboxylate.

Molecular Properties

Compound Namepotassium 2-cyclohexyl-9H-xanthene-1-carboxylate
PubChem CID70391550
Molecular FormulaC20H19KO3
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC Namepotassium 2-cyclohexyl-9H-xanthene-1-carboxylate
SMILESO=C([O-])c1c(C2CCCCC2)ccc2c1Cc1ccccc1O2.[K+]
InChIInChI=1S/C20H20O3.K/c21-20(22)19-15(13-6-2-1-3-7-13)10-11-18-16(19)12-14-8-4-5-9-17(14)23-18;/h4-5,8-11,13H,1-3,6-7,12H2,(H,21,22);/q;+1/p-1
InChIKeyUWGFQPUHGPSNFN-UHFFFAOYSA-M
XLogP0.80
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 2-cyclohexyl-9H-xanthene-1-carboxylate?
The IUPAC name of potassium 2-cyclohexyl-9H-xanthene-1-carboxylate (CID 70391550) is potassium 2-cyclohexyl-9H-xanthene-1-carboxylate.
What is the SMILES notation for potassium 2-cyclohexyl-9H-xanthene-1-carboxylate?
The canonical SMILES for potassium 2-cyclohexyl-9H-xanthene-1-carboxylate is O=C([O-])c1c(C2CCCCC2)ccc2c1Cc1ccccc1O2.[K+].
What is the InChIKey of potassium 2-cyclohexyl-9H-xanthene-1-carboxylate?
The InChIKey is UWGFQPUHGPSNFN-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20O3.K/c21-20(22)19-15(13-6-2-1-3-7-13)10-11-18-16(19)12-14-8-4-5-9-17(14)23-18;/h4-5,8-11,13H,1-3,6-7,12H2,(H,21,22);/q;+1/p-1.
What are the key properties of potassium 2-cyclohexyl-9H-xanthene-1-carboxylate?
potassium 2-cyclohexyl-9H-xanthene-1-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-cyclohexyl-9H-xanthene-1-carboxylate is sourced from PubChem (CID 70391550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).