sodium 2-ethoxy-6-formylphenolate

C9H9NaO3 — CID 102504150

IUPACsodium 2-ethoxy-6-formylphenolate
SMILESCCOc1cccc(C=O)c1[O-].[Na+]
InChIInChI=1S/C9H10O3.Na/c1-2-12-8-5-3-4-7(6-10)9(8)11;/h3-6,11H,2H2,1H3;/q;+1/p-1
InChIKeyBQGMBTZZOAHMKY-UHFFFAOYSA-M
MW188.16 g/mol
LogP-2.02
Rot. Bonds3

About sodium 2-ethoxy-6-formylphenolate

sodium 2-ethoxy-6-formylphenolate (PubChem CID 102504150) has the molecular formula C9H9NaO3 and a molecular weight of 188.16 g/mol. Its IUPAC name is sodium 2-ethoxy-6-formylphenolate.

Molecular Properties

Compound Namesodium 2-ethoxy-6-formylphenolate
PubChem CID102504150
Molecular FormulaC9H9NaO3
Molecular Weight188.16 g/mol
Exact Mass188.04
IUPAC Namesodium 2-ethoxy-6-formylphenolate
SMILESCCOc1cccc(C=O)c1[O-].[Na+]
InChIInChI=1S/C9H10O3.Na/c1-2-12-8-5-3-4-7(6-10)9(8)11;/h3-6,11H,2H2,1H3;/q;+1/p-1
InChIKeyBQGMBTZZOAHMKY-UHFFFAOYSA-M
XLogP-2.02
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 5-2.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
copper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate
CID 139036889
bicyclo[3.1.0]hexa-1(6),2,4-triene;2-chloro-3-ethoxybenzaldehyde
CID 87224592
sodium;cobalt(3+);2-ethoxy-6-[[3-[(3-ethoxy-2-oxidophenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenolate;diisothiocyanate;hydrate
CID 139171905
3-ethoxynaphthalene-2-carbaldehyde
CID 131351894
3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde
CID 65175736
bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate)
CID 139168001
4-ethoxy-2,3-difluorobenzaldehyde
CID 14495625
2-[(E)-3-chloroprop-2-enoxy]-3-ethoxybenzaldehyde
CID 43366499
3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565
3-ethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 59515161

Frequently Asked Questions

What is the IUPAC name of sodium 2-ethoxy-6-formylphenolate?
The IUPAC name of sodium 2-ethoxy-6-formylphenolate (CID 102504150) is sodium 2-ethoxy-6-formylphenolate.
What is the SMILES notation for sodium 2-ethoxy-6-formylphenolate?
The canonical SMILES for sodium 2-ethoxy-6-formylphenolate is CCOc1cccc(C=O)c1[O-].[Na+].
What is the InChIKey of sodium 2-ethoxy-6-formylphenolate?
The InChIKey is BQGMBTZZOAHMKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O3.Na/c1-2-12-8-5-3-4-7(6-10)9(8)11;/h3-6,11H,2H2,1H3;/q;+1/p-1.
What are the key properties of sodium 2-ethoxy-6-formylphenolate?
sodium 2-ethoxy-6-formylphenolate has a molecular weight of 188.16 g/mol, XLogP of -2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-ethoxy-6-formylphenolate is sourced from PubChem (CID 102504150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).