sodium 3-(3-phenoxyphenoxy)phenolate

C18H13NaO3 — CID 23675667

IUPACsodium 3-(3-phenoxyphenoxy)phenolate
SMILES[Na+].[O-]c1cccc(Oc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C18H14O3.Na/c19-14-6-4-9-16(12-14)21-18-11-5-10-17(13-18)20-15-7-2-1-3-8-15;/h1-13,19H;/q;+1/p-1
InChIKeyGFZGHJYCZPWMAP-UHFFFAOYSA-M
MW300.29 g/mol
LogP1.35
Rot. Bonds4

About sodium 3-(3-phenoxyphenoxy)phenolate

sodium 3-(3-phenoxyphenoxy)phenolate (PubChem CID 23675667) has the molecular formula C18H13NaO3 and a molecular weight of 300.29 g/mol. Its IUPAC name is sodium 3-(3-phenoxyphenoxy)phenolate.

Molecular Properties

Compound Namesodium 3-(3-phenoxyphenoxy)phenolate
PubChem CID23675667
Molecular FormulaC18H13NaO3
Molecular Weight300.29 g/mol
Exact Mass300.08
IUPAC Namesodium 3-(3-phenoxyphenoxy)phenolate
SMILES[Na+].[O-]c1cccc(Oc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C18H14O3.Na/c19-14-6-4-9-16(12-14)21-18-11-5-10-17(13-18)20-15-7-2-1-3-8-15;/h1-13,19H;/q;+1/p-1
InChIKeyGFZGHJYCZPWMAP-UHFFFAOYSA-M
XLogP1.35
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
3-(3-phenoxyphenoxy)aniline
CID 68727404
(3-phenoxyphenyl) sulfate
CID 59815390
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
magnesium bis(3-methoxyphenolate)
CID 10858575
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
boric acid;phenoxybenzene
CID 66799508
potassium;hydride;phenoxybenzene
CID 173391576
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
1-(2-phenylethynyl)-3-[4-(2-phenylethynyl)phenoxy]benzene
CID 139902783

Frequently Asked Questions

What is the IUPAC name of sodium 3-(3-phenoxyphenoxy)phenolate?
The IUPAC name of sodium 3-(3-phenoxyphenoxy)phenolate (CID 23675667) is sodium 3-(3-phenoxyphenoxy)phenolate.
What is the SMILES notation for sodium 3-(3-phenoxyphenoxy)phenolate?
The canonical SMILES for sodium 3-(3-phenoxyphenoxy)phenolate is [Na+].[O-]c1cccc(Oc2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of sodium 3-(3-phenoxyphenoxy)phenolate?
The InChIKey is GFZGHJYCZPWMAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14O3.Na/c19-14-6-4-9-16(12-14)21-18-11-5-10-17(13-18)20-15-7-2-1-3-8-15;/h1-13,19H;/q;+1/p-1.
What are the key properties of sodium 3-(3-phenoxyphenoxy)phenolate?
sodium 3-(3-phenoxyphenoxy)phenolate has a molecular weight of 300.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(3-phenoxyphenoxy)phenolate is sourced from PubChem (CID 23675667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).