2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium

C10H11ClO5V — CID 150366531

IUPAC2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium
SMILESCOCCOC(=O)c1ccc(Cl)cc1OO.[V]
InChIInChI=1S/C10H11ClO5.V/c1-14-4-5-15-10(12)8-3-2-7(11)6-9(8)16-13;/h2-3,6,13H,4-5H2,1H3;
InChIKeyFLOANURXNSRVLV-UHFFFAOYSA-N
MW297.59 g/mol
LogP1.99
Rot. Bonds5

About 2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium

2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium (PubChem CID 150366531) has the molecular formula C10H11ClO5V and a molecular weight of 297.59 g/mol. Its IUPAC name is 2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium.

Molecular Properties

Compound Name2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium
PubChem CID150366531
Molecular FormulaC10H11ClO5V
Molecular Weight297.59 g/mol
Exact Mass296.97
IUPAC Name2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium
SMILESCOCCOC(=O)c1ccc(Cl)cc1OO.[V]
InChIInChI=1S/C10H11ClO5.V/c1-14-4-5-15-10(12)8-3-2-7(11)6-9(8)16-13;/h2-3,6,13H,4-5H2,1H3;
InChIKeyFLOANURXNSRVLV-UHFFFAOYSA-N
XLogP1.99
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.59
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
CID 101066319
2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate
CID 112689579
methyl 2-(2-aminoethoxy)-4-chlorobenzoate
CID 139394772
3-acetamidopropyl 4-chloro-2-methoxybenzoate
CID 60598323
4-chloro-2-methoxybenzamide
CID 19741766
2-methoxyethyl 2,4-difluorobenzoate
CID 78830751
methyl 2-butoxy-4-chlorobenzoate
CID 78846722
2-methoxyethyl 2-fluoro-4-methylbenzoate
CID 79872980
propyl 2-amino-4-chlorobenzoate
CID 28690133
ethyl 4-chloro-2-propan-2-yloxybenzoate
CID 164894970
propyl 2,5-dichlorobenzoate
CID 43389536
propyl 2-bromo-4-chlorobenzoate
CID 103766992

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium?
The IUPAC name of 2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium (CID 150366531) is 2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium.
What is the SMILES notation for 2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium?
The canonical SMILES for 2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium is COCCOC(=O)c1ccc(Cl)cc1OO.[V].
What is the InChIKey of 2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium?
The InChIKey is FLOANURXNSRVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO5.V/c1-14-4-5-15-10(12)8-3-2-7(11)6-9(8)16-13;/h2-3,6,13H,4-5H2,1H3;.
What are the key properties of 2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium?
2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium has a molecular weight of 297.59 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium is sourced from PubChem (CID 150366531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).