sodium 6-oxo-9-phenylxanthen-3-olate

C19H11NaO3 — CID 20719195

IUPACsodium 6-oxo-9-phenylxanthen-3-olate
SMILESO=c1ccc2c(-c3ccccc3)c3ccc([O-])cc3oc-2c1.[Na+]
InChIInChI=1S/C19H12O3.Na/c20-13-6-8-15-17(10-13)22-18-11-14(21)7-9-16(18)19(15)12-4-2-1-3-5-12;/h1-11,20H;/q;+1/p-1
InChIKeyVXGQBCAJWCSKJR-UHFFFAOYSA-M
MW310.28 g/mol
LogP0.64
Rot. Bonds1

About sodium 6-oxo-9-phenylxanthen-3-olate

sodium 6-oxo-9-phenylxanthen-3-olate (PubChem CID 20719195) has the molecular formula C19H11NaO3 and a molecular weight of 310.28 g/mol. Its IUPAC name is sodium 6-oxo-9-phenylxanthen-3-olate.

Molecular Properties

Compound Namesodium 6-oxo-9-phenylxanthen-3-olate
PubChem CID20719195
Molecular FormulaC19H11NaO3
Molecular Weight310.28 g/mol
Exact Mass310.06
IUPAC Namesodium 6-oxo-9-phenylxanthen-3-olate
SMILESO=c1ccc2c(-c3ccccc3)c3ccc([O-])cc3oc-2c1.[Na+]
InChIInChI=1S/C19H12O3.Na/c20-13-6-8-15-17(10-13)22-18-11-14(21)7-9-16(18)19(15)12-4-2-1-3-5-12;/h1-11,20H;/q;+1/p-1
InChIKeyVXGQBCAJWCSKJR-UHFFFAOYSA-M
XLogP0.64
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-9-phenylxanthen-3-one
CID 2818392
disodium;2-(3-oxido-6-oxoxanthen-9-yl)benzenesulfonate
CID 53384586
disodium;2-(3-oxido-6-oxoxanthen-9-yl)benzoate;dihydrate
CID 43833461
9-(4-amino-3-carboxyphenyl)-6-oxoxanthen-3-olate
CID 54712934
disodium;iodomethane;2-(3-oxido-6-oxoxanthen-9-yl)benzoate
CID 134067319
trisodium;carbanide;carbon dioxide;2-(3-oxido-6-oxoxanthen-9-yl)benzoate
CID 157469630
9-(5-amino-2-carboxyphenyl)-6-oxoxanthen-3-olate
CID 59227798
9-(3-methoxycarbonylnaphthalen-2-yl)-6-oxoxanthen-3-olate
CID 101365060
9-[4-(aminocarbamothioylamino)-2-carboxyphenyl]-6-oxoxanthen-3-olate
CID 71774705
6-hydroxy-9-(3-nitrophenyl)xanthen-3-one
CID 11313593
carbon dioxide;6-hydroxy-9-(4-methylphenyl)xanthen-3-one
CID 160590313
azanium;methane;5-(methylcarbamoyl)-2-(3-oxido-6-oxoxanthen-9-yl)benzoate
CID 161121265

Frequently Asked Questions

What is the IUPAC name of sodium 6-oxo-9-phenylxanthen-3-olate?
The IUPAC name of sodium 6-oxo-9-phenylxanthen-3-olate (CID 20719195) is sodium 6-oxo-9-phenylxanthen-3-olate.
What is the SMILES notation for sodium 6-oxo-9-phenylxanthen-3-olate?
The canonical SMILES for sodium 6-oxo-9-phenylxanthen-3-olate is O=c1ccc2c(-c3ccccc3)c3ccc([O-])cc3oc-2c1.[Na+].
What is the InChIKey of sodium 6-oxo-9-phenylxanthen-3-olate?
The InChIKey is VXGQBCAJWCSKJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H12O3.Na/c20-13-6-8-15-17(10-13)22-18-11-14(21)7-9-16(18)19(15)12-4-2-1-3-5-12;/h1-11,20H;/q;+1/p-1.
What are the key properties of sodium 6-oxo-9-phenylxanthen-3-olate?
sodium 6-oxo-9-phenylxanthen-3-olate has a molecular weight of 310.28 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-oxo-9-phenylxanthen-3-olate is sourced from PubChem (CID 20719195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).