benzene;2-[chloro(2-hydroxyethoxy)amino]oxyethanol

C10H16ClNO4 — CID 174400425

IUPACbenzene;2-[chloro(2-hydroxyethoxy)amino]oxyethanol
SMILESOCCON(Cl)OCCO.c1ccccc1
InChIInChI=1S/C6H6.C4H10ClNO4/c1-2-4-6-5-3-1;5-6(9-3-1-7)10-4-2-8/h1-6H;7-8H,1-4H2
InChIKeyIVFYQSPWNAWVJM-UHFFFAOYSA-N
MW249.69 g/mol
LogP0.98
Rot. Bonds6

About benzene;2-[chloro(2-hydroxyethoxy)amino]oxyethanol

benzene;2-[chloro(2-hydroxyethoxy)amino]oxyethanol (PubChem CID 174400425) has the molecular formula C10H16ClNO4 and a molecular weight of 249.69 g/mol. Its IUPAC name is benzene;2-[chloro(2-hydroxyethoxy)amino]oxyethanol.

Molecular Properties

Compound Namebenzene;2-[chloro(2-hydroxyethoxy)amino]oxyethanol
PubChem CID174400425
Molecular FormulaC10H16ClNO4
Molecular Weight249.69 g/mol
Exact Mass249.08
IUPAC Namebenzene;2-[chloro(2-hydroxyethoxy)amino]oxyethanol
SMILESOCCON(Cl)OCCO.c1ccccc1
InChIInChI=1S/C6H6.C4H10ClNO4/c1-2-4-6-5-3-1;5-6(9-3-1-7)10-4-2-8/h1-6H;7-8H,1-4H2
InChIKeyIVFYQSPWNAWVJM-UHFFFAOYSA-N
XLogP0.98
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.69
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;2-[chloro(2-hydroxyethoxy)amino]oxyethanol?
The IUPAC name of benzene;2-[chloro(2-hydroxyethoxy)amino]oxyethanol (CID 174400425) is benzene;2-[chloro(2-hydroxyethoxy)amino]oxyethanol.
What is the SMILES notation for benzene;2-[chloro(2-hydroxyethoxy)amino]oxyethanol?
The canonical SMILES for benzene;2-[chloro(2-hydroxyethoxy)amino]oxyethanol is OCCON(Cl)OCCO.c1ccccc1.
What is the InChIKey of benzene;2-[chloro(2-hydroxyethoxy)amino]oxyethanol?
The InChIKey is IVFYQSPWNAWVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H10ClNO4/c1-2-4-6-5-3-1;5-6(9-3-1-7)10-4-2-8/h1-6H;7-8H,1-4H2.
What are the key properties of benzene;2-[chloro(2-hydroxyethoxy)amino]oxyethanol?
benzene;2-[chloro(2-hydroxyethoxy)amino]oxyethanol has a molecular weight of 249.69 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-[chloro(2-hydroxyethoxy)amino]oxyethanol is sourced from PubChem (CID 174400425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).