2-ethoxybenzoic acid;zinc

C9H10O3Zn — CID 172723273

IUPAC2-ethoxybenzoic acid;zinc
SMILESCCOc1ccccc1C(=O)O.[Zn]
InChIInChI=1S/C9H10O3.Zn/c1-2-12-8-6-4-3-5-7(8)9(10)11;/h3-6H,2H2,1H3,(H,10,11);
InChIKeyGUOYUPSJRALEST-UHFFFAOYSA-N
MW231.57 g/mol
LogP1.78
Rot. Bonds3

About 2-ethoxybenzoic acid;zinc

2-ethoxybenzoic acid;zinc (PubChem CID 172723273) has the molecular formula C9H10O3Zn and a molecular weight of 231.57 g/mol. Its IUPAC name is 2-ethoxybenzoic acid;zinc.

Molecular Properties

Compound Name2-ethoxybenzoic acid;zinc
PubChem CID172723273
Molecular FormulaC9H10O3Zn
Molecular Weight231.57 g/mol
Exact Mass229.99
IUPAC Name2-ethoxybenzoic acid;zinc
SMILESCCOc1ccccc1C(=O)O.[Zn]
InChIInChI=1S/C9H10O3.Zn/c1-2-12-8-6-4-3-5-7(8)9(10)11;/h3-6H,2H2,1H3,(H,10,11);
InChIKeyGUOYUPSJRALEST-UHFFFAOYSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.57
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium;2-ethoxybenzoic acid;hydride
CID 175278645
2-(2-ethoxyanilino)benzoic acid
CID 726510
2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid
CID 20992517
3-ethoxy-2-hydroxybenzoic acid
CID 13026922
2-nonoxybenzoic acid;zinc
CID 70396181
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
1-(2-ethoxyphenyl)-2-methylsulfonylethanone
CID 62784939
2-ethoxybenzenecarboperoxoic acid
CID 22314606
2-ethoxybenzoyl bromide
CID 19426336
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
2-butoxybenzoic acid;carbonic acid
CID 137455653
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899

Frequently Asked Questions

What is the IUPAC name of 2-ethoxybenzoic acid;zinc?
The IUPAC name of 2-ethoxybenzoic acid;zinc (CID 172723273) is 2-ethoxybenzoic acid;zinc.
What is the SMILES notation for 2-ethoxybenzoic acid;zinc?
The canonical SMILES for 2-ethoxybenzoic acid;zinc is CCOc1ccccc1C(=O)O.[Zn].
What is the InChIKey of 2-ethoxybenzoic acid;zinc?
The InChIKey is GUOYUPSJRALEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.Zn/c1-2-12-8-6-4-3-5-7(8)9(10)11;/h3-6H,2H2,1H3,(H,10,11);.
What are the key properties of 2-ethoxybenzoic acid;zinc?
2-ethoxybenzoic acid;zinc has a molecular weight of 231.57 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybenzoic acid;zinc is sourced from PubChem (CID 172723273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).