5-chloro-2-ethoxybenzoic acid;tungsten

C9H8ClO3W- — CID 58176486

IUPAC5-chloro-2-ethoxybenzoic acid;tungsten
SMILES[CH2-]COc1ccc(Cl)cc1C(=O)O.[W]
InChIInChI=1S/C9H8ClO3.W/c1-2-13-8-4-3-6(10)5-7(8)9(11)12;/h3-5H,1-2H2,(H,11,12);/q-1;
InChIKeyPRLSYZJXSLSWRY-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.25
Rot. Bonds3

About 5-chloro-2-ethoxybenzoic acid;tungsten

5-chloro-2-ethoxybenzoic acid;tungsten (PubChem CID 58176486) has the molecular formula C9H8ClO3W- and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-chloro-2-ethoxybenzoic acid;tungsten.

Molecular Properties

Compound Name5-chloro-2-ethoxybenzoic acid;tungsten
PubChem CID58176486
Molecular FormulaC9H8ClO3W-
Molecular Weight383.45 g/mol
Exact Mass382.97
IUPAC Name5-chloro-2-ethoxybenzoic acid;tungsten
SMILES[CH2-]COc1ccc(Cl)cc1C(=O)O.[W]
InChIInChI=1S/C9H8ClO3.W/c1-2-13-8-4-3-6(10)5-7(8)9(11)12;/h3-5H,1-2H2,(H,11,12);/q-1;
InChIKeyPRLSYZJXSLSWRY-UHFFFAOYSA-N
XLogP2.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-propoxybenzoic acid;tungsten
CID 58176462
5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid
CID 20988301
5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid
CID 60651656
5-chloro-2-(2-oxopropoxy)benzoic acid
CID 9118654
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
5-chloro-2-(2,4-dimethylpentoxy)benzoic acid
CID 114200018
5-chloro-2-(3,3-dimethylbutoxy)benzoic acid
CID 61379705
5-chloro-2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoic acid
CID 67057095
5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]benzoic acid
CID 20988227
2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid
CID 60676595
2-[2-(azetidin-1-yl)-2-oxoethoxy]-5-chlorobenzoic acid
CID 61379377

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxybenzoic acid;tungsten?
The IUPAC name of 5-chloro-2-ethoxybenzoic acid;tungsten (CID 58176486) is 5-chloro-2-ethoxybenzoic acid;tungsten.
What is the SMILES notation for 5-chloro-2-ethoxybenzoic acid;tungsten?
The canonical SMILES for 5-chloro-2-ethoxybenzoic acid;tungsten is [CH2-]COc1ccc(Cl)cc1C(=O)O.[W].
What is the InChIKey of 5-chloro-2-ethoxybenzoic acid;tungsten?
The InChIKey is PRLSYZJXSLSWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClO3.W/c1-2-13-8-4-3-6(10)5-7(8)9(11)12;/h3-5H,1-2H2,(H,11,12);/q-1;.
What are the key properties of 5-chloro-2-ethoxybenzoic acid;tungsten?
5-chloro-2-ethoxybenzoic acid;tungsten has a molecular weight of 383.45 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxybenzoic acid;tungsten is sourced from PubChem (CID 58176486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).