5-chloro-2-propoxybenzoic acid;tungsten

C10H10ClO3W- — CID 58176462

IUPAC5-chloro-2-propoxybenzoic acid;tungsten
SMILES[CH2-]CCOc1ccc(Cl)cc1C(=O)O.[W]
InChIInChI=1S/C10H10ClO3.W/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13;/h3-4,6H,1-2,5H2,(H,12,13);/q-1;
InChIKeyIDAZKCRLOPRHGJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.64
Rot. Bonds4

About 5-chloro-2-propoxybenzoic acid;tungsten

5-chloro-2-propoxybenzoic acid;tungsten (PubChem CID 58176462) has the molecular formula C10H10ClO3W- and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-chloro-2-propoxybenzoic acid;tungsten.

Molecular Properties

Compound Name5-chloro-2-propoxybenzoic acid;tungsten
PubChem CID58176462
Molecular FormulaC10H10ClO3W-
Molecular Weight397.48 g/mol
Exact Mass396.98
IUPAC Name5-chloro-2-propoxybenzoic acid;tungsten
SMILES[CH2-]CCOc1ccc(Cl)cc1C(=O)O.[W]
InChIInChI=1S/C10H10ClO3.W/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13;/h3-4,6H,1-2,5H2,(H,12,13);/q-1;
InChIKeyIDAZKCRLOPRHGJ-UHFFFAOYSA-N
XLogP2.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.64
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-ethoxybenzoic acid;tungsten
CID 58176486
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-(4-methoxybutoxy)benzoic acid
CID 104646799
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-acetamidoethoxy)-5-chlorobenzoic acid
CID 60676519
5-chloro-2-(2-oxopropoxy)benzoic acid
CID 9118654
2-(3-acetamidopropoxy)-5-chlorobenzoic acid
CID 67057090
5-chloro-2-(2-propan-2-ylsulfonylethoxy)benzoic acid
CID 106721771
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propoxybenzoic acid;tungsten?
The IUPAC name of 5-chloro-2-propoxybenzoic acid;tungsten (CID 58176462) is 5-chloro-2-propoxybenzoic acid;tungsten.
What is the SMILES notation for 5-chloro-2-propoxybenzoic acid;tungsten?
The canonical SMILES for 5-chloro-2-propoxybenzoic acid;tungsten is [CH2-]CCOc1ccc(Cl)cc1C(=O)O.[W].
What is the InChIKey of 5-chloro-2-propoxybenzoic acid;tungsten?
The InChIKey is IDAZKCRLOPRHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClO3.W/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13;/h3-4,6H,1-2,5H2,(H,12,13);/q-1;.
What are the key properties of 5-chloro-2-propoxybenzoic acid;tungsten?
5-chloro-2-propoxybenzoic acid;tungsten has a molecular weight of 397.48 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propoxybenzoic acid;tungsten is sourced from PubChem (CID 58176462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).