trisodium;2-ethoxyphenolate;4-ethoxyphenolate;3-methoxyphenolate

C23H25Na3O6 — CID 172755779

IUPACtrisodium;2-ethoxyphenolate;4-ethoxyphenolate;3-methoxyphenolate
SMILESCCOc1ccc([O-])cc1.CCOc1ccccc1[O-].COc1cccc([O-])c1.[Na+].[Na+].[Na+]
InChIInChI=1S/2C8H10O2.C7H8O2.3Na/c1-2-10-8-5-3-7(9)4-6-8;1-2-10-8-6-4-3-5-7(8)9;1-9-7-4-2-3-6(8)5-7;;;/h2*3-6,9H,2H2,1H3;2-5,8H,1H3;;;/q;;;3*+1/p-3
InChIKeyKZRLBCIQDKOQLB-UHFFFAOYSA-K
MW466.42 g/mol
LogP-5.90
Rot. Bonds5

About trisodium;2-ethoxyphenolate;4-ethoxyphenolate;3-methoxyphenolate

trisodium;2-ethoxyphenolate;4-ethoxyphenolate;3-methoxyphenolate (PubChem CID 172755779) has the molecular formula C23H25Na3O6 and a molecular weight of 466.42 g/mol. Its IUPAC name is trisodium;2-ethoxyphenolate;4-ethoxyphenolate;3-methoxyphenolate.

Molecular Properties

Compound Nametrisodium;2-ethoxyphenolate;4-ethoxyphenolate;3-methoxyphenolate
PubChem CID172755779
Molecular FormulaC23H25Na3O6
Molecular Weight466.42 g/mol
Exact Mass466.13
IUPAC Nametrisodium;2-ethoxyphenolate;4-ethoxyphenolate;3-methoxyphenolate
SMILESCCOc1ccc([O-])cc1.CCOc1ccccc1[O-].COc1cccc([O-])c1.[Na+].[Na+].[Na+]
InChIInChI=1S/2C8H10O2.C7H8O2.3Na/c1-2-10-8-5-3-7(9)4-6-8;1-2-10-8-6-4-3-5-7(8)9;1-9-7-4-2-3-6(8)5-7;;;/h2*3-6,9H,2H2,1H3;2-5,8H,1H3;;;/q;;;3*+1/p-3
InChIKeyKZRLBCIQDKOQLB-UHFFFAOYSA-K
XLogP-5.90
TPSA96.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.42
LogP ≤ 5-5.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

sodium 2-ethoxyphenolate
CID 23671657
magnesium bis(3-methoxyphenolate)
CID 10858575
[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026269
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
(2-ethoxyphenyl)-(3-methoxyphenyl)methanol
CID 62801888
sodium 6-methoxynaphthalen-2-olate
CID 25112534
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553
(2-ethoxyphenyl) 3-methoxybenzoate
CID 19184767
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204
2-(4-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 16791340
ethoxybenzene chloride
CID 21193593

Frequently Asked Questions

What is the IUPAC name of trisodium;2-ethoxyphenolate;4-ethoxyphenolate;3-methoxyphenolate?
The IUPAC name of trisodium;2-ethoxyphenolate;4-ethoxyphenolate;3-methoxyphenolate (CID 172755779) is trisodium;2-ethoxyphenolate;4-ethoxyphenolate;3-methoxyphenolate.
What is the SMILES notation for trisodium;2-ethoxyphenolate;4-ethoxyphenolate;3-methoxyphenolate?
The canonical SMILES for trisodium;2-ethoxyphenolate;4-ethoxyphenolate;3-methoxyphenolate is CCOc1ccc([O-])cc1.CCOc1ccccc1[O-].COc1cccc([O-])c1.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;2-ethoxyphenolate;4-ethoxyphenolate;3-methoxyphenolate?
The InChIKey is KZRLBCIQDKOQLB-UHFFFAOYSA-K. The full InChI is InChI=1S/2C8H10O2.C7H8O2.3Na/c1-2-10-8-5-3-7(9)4-6-8;1-2-10-8-6-4-3-5-7(8)9;1-9-7-4-2-3-6(8)5-7;;;/h2*3-6,9H,2H2,1H3;2-5,8H,1H3;;;/q;;;3*+1/p-3.
What are the key properties of trisodium;2-ethoxyphenolate;4-ethoxyphenolate;3-methoxyphenolate?
trisodium;2-ethoxyphenolate;4-ethoxyphenolate;3-methoxyphenolate has a molecular weight of 466.42 g/mol, XLogP of -5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-ethoxyphenolate;4-ethoxyphenolate;3-methoxyphenolate is sourced from PubChem (CID 172755779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).