phthalate;bis(quinolin-1-ium-8-ol)

C26H20N2O6 — CID 163359214

IUPACphthalate;bis(quinolin-1-ium-8-ol)
SMILESO=C([O-])c1ccccc1C(=O)[O-].Oc1cccc2ccc[nH+]c12.Oc1cccc2ccc[nH+]c12
InChIInChI=1S/2C9H7NO.C8H6O4/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;9-7(10)5-3-1-2-4-6(5)8(11)12/h2*1-6,11H;1-4H,(H,9,10)(H,11,12)
InChIKeyXDGCVLMLOBGQPM-UHFFFAOYSA-N
MW456.45 g/mol
LogP1.13
Rot. Bonds2

About phthalate;bis(quinolin-1-ium-8-ol)

phthalate;bis(quinolin-1-ium-8-ol) (PubChem CID 163359214) has the molecular formula C26H20N2O6 and a molecular weight of 456.45 g/mol. Its IUPAC name is phthalate;bis(quinolin-1-ium-8-ol).

Molecular Properties

Compound Namephthalate;bis(quinolin-1-ium-8-ol)
PubChem CID163359214
Molecular FormulaC26H20N2O6
Molecular Weight456.45 g/mol
Exact Mass456.13
IUPAC Namephthalate;bis(quinolin-1-ium-8-ol)
SMILESO=C([O-])c1ccccc1C(=O)[O-].Oc1cccc2ccc[nH+]c12.Oc1cccc2ccc[nH+]c12
InChIInChI=1S/2C9H7NO.C8H6O4/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;9-7(10)5-3-1-2-4-6(5)8(11)12/h2*1-6,11H;1-4H,(H,9,10)(H,11,12)
InChIKeyXDGCVLMLOBGQPM-UHFFFAOYSA-N
XLogP1.13
TPSA149.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

lithium quinolin-1-ium-8-ol
CID 166010386
bis(quinolin-1-ium-8-ol);sulfate
CID 8639
pentakis(lead(2+));phthalate
CID 173427098
disilver;phthalate
CID 21449237
trimagnesium;phthalate
CID 142758668
nickel(2+);phthalate
CID 15798393
lead(2+) dihydride;phthalate
CID 155293254
disodium;hydron;phthalate
CID 23089010
bis(lead(2+));phthalate;dihydroxide
CID 102446618
strontium;barium(2+);phthalate;zirconium(4+)
CID 174634619
dibismuth;phthalate;urea
CID 161346860
lithium;2-hydroxybenzoate;oxalic acid
CID 172798390

Frequently Asked Questions

What is the IUPAC name of phthalate;bis(quinolin-1-ium-8-ol)?
The IUPAC name of phthalate;bis(quinolin-1-ium-8-ol) (CID 163359214) is phthalate;bis(quinolin-1-ium-8-ol).
What is the SMILES notation for phthalate;bis(quinolin-1-ium-8-ol)?
The canonical SMILES for phthalate;bis(quinolin-1-ium-8-ol) is O=C([O-])c1ccccc1C(=O)[O-].Oc1cccc2ccc[nH+]c12.Oc1cccc2ccc[nH+]c12.
What is the InChIKey of phthalate;bis(quinolin-1-ium-8-ol)?
The InChIKey is XDGCVLMLOBGQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7NO.C8H6O4/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;9-7(10)5-3-1-2-4-6(5)8(11)12/h2*1-6,11H;1-4H,(H,9,10)(H,11,12).
What are the key properties of phthalate;bis(quinolin-1-ium-8-ol)?
phthalate;bis(quinolin-1-ium-8-ol) has a molecular weight of 456.45 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phthalate;bis(quinolin-1-ium-8-ol) is sourced from PubChem (CID 163359214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).