sodium 2-ethoxyphenolate

C8H9NaO2 — CID 23671657

IUPACsodium 2-ethoxyphenolate
SMILESCCOc1ccccc1[O-].[Na+]
InChIInChI=1S/C8H10O2.Na/c1-2-10-8-6-4-3-5-7(8)9;/h3-6,9H,2H2,1H3;/q;+1/p-1
InChIKeyMLUSGSAOOAWMFU-UHFFFAOYSA-M
MW160.15 g/mol
LogP-1.84
Rot. Bonds2

About sodium 2-ethoxyphenolate

sodium 2-ethoxyphenolate (PubChem CID 23671657) has the molecular formula C8H9NaO2 and a molecular weight of 160.15 g/mol. Its IUPAC name is sodium 2-ethoxyphenolate.

Molecular Properties

Compound Namesodium 2-ethoxyphenolate
PubChem CID23671657
Molecular FormulaC8H9NaO2
Molecular Weight160.15 g/mol
Exact Mass160.05
IUPAC Namesodium 2-ethoxyphenolate
SMILESCCOc1ccccc1[O-].[Na+]
InChIInChI=1S/C8H10O2.Na/c1-2-10-8-6-4-3-5-7(8)9;/h3-6,9H,2H2,1H3;/q;+1/p-1
InChIKeyMLUSGSAOOAWMFU-UHFFFAOYSA-M
XLogP-1.84
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 5-1.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trisodium;2-ethoxyphenolate;4-ethoxyphenolate;3-methoxyphenolate
CID 172755779
(2-ethoxyphenyl)boronic acid
CID 2734902
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
O-(2-ethoxyphenyl)hydroxylamine
CID 70279336
(2-ethoxyphenyl)phosphane
CID 19813759
sodium 2-ethoxy-6-formylphenolate
CID 102504150
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
CID 57470241
CID 57470241
(2-ethoxyphenyl)-triphenylsilane
CID 101408010
2-ethoxyaniline;molecular hydrogen
CID 144877970
[2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane
CID 138520904
4-(2-ethoxyphenyl)pyridine
CID 23466193

Frequently Asked Questions

What is the IUPAC name of sodium 2-ethoxyphenolate?
The IUPAC name of sodium 2-ethoxyphenolate (CID 23671657) is sodium 2-ethoxyphenolate.
What is the SMILES notation for sodium 2-ethoxyphenolate?
The canonical SMILES for sodium 2-ethoxyphenolate is CCOc1ccccc1[O-].[Na+].
What is the InChIKey of sodium 2-ethoxyphenolate?
The InChIKey is MLUSGSAOOAWMFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10O2.Na/c1-2-10-8-6-4-3-5-7(8)9;/h3-6,9H,2H2,1H3;/q;+1/p-1.
What are the key properties of sodium 2-ethoxyphenolate?
sodium 2-ethoxyphenolate has a molecular weight of 160.15 g/mol, XLogP of -1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-ethoxyphenolate is sourced from PubChem (CID 23671657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).