1-[4-(chloromethyl)phenoxy]ethyl hypochlorite

C9H10Cl2O2 — CID 141305174

IUPAC1-[4-(chloromethyl)phenoxy]ethyl hypochlorite
SMILESCC(OCl)Oc1ccc(CCl)cc1
InChIInChI=1S/C9H10Cl2O2/c1-7(13-11)12-9-4-2-8(6-10)3-5-9/h2-5,7H,6H2,1H3
InChIKeyHWUUVTYCIFAAIH-UHFFFAOYSA-N
MW221.08 g/mol
LogP3.32
Rot. Bonds4

About 1-[4-(chloromethyl)phenoxy]ethyl hypochlorite

1-[4-(chloromethyl)phenoxy]ethyl hypochlorite (PubChem CID 141305174) has the molecular formula C9H10Cl2O2 and a molecular weight of 221.08 g/mol. Its IUPAC name is 1-[4-(chloromethyl)phenoxy]ethyl hypochlorite.

Molecular Properties

Compound Name1-[4-(chloromethyl)phenoxy]ethyl hypochlorite
PubChem CID141305174
Molecular FormulaC9H10Cl2O2
Molecular Weight221.08 g/mol
Exact Mass220.01
IUPAC Name1-[4-(chloromethyl)phenoxy]ethyl hypochlorite
SMILESCC(OCl)Oc1ccc(CCl)cc1
InChIInChI=1S/C9H10Cl2O2/c1-7(13-11)12-9-4-2-8(6-10)3-5-9/h2-5,7H,6H2,1H3
InChIKeyHWUUVTYCIFAAIH-UHFFFAOYSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(chloromethyl)-4-pentan-3-yloxybenzene
CID 54051515
1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene
CID 67328041
1-[4-(chloromethyl)phenoxy]propan-2-ol
CID 134374781
CID 59510583
CID 59510583
1-(chloromethyl)-4-(2-ethylbutoxy)benzene
CID 82928128
1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 535218
1-(2-chloroethyl)-4-(2-methylpropoxy)benzene
CID 96658060
1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene
CID 10340152
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
[4-(chloromethyl)phenyl]methyl-dimethyl-propan-2-ylazanium chloride
CID 18413287
1-[4-(chloromethyl)phenyl]ethanol
CID 12600511
N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 115263189

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)phenoxy]ethyl hypochlorite?
The IUPAC name of 1-[4-(chloromethyl)phenoxy]ethyl hypochlorite (CID 141305174) is 1-[4-(chloromethyl)phenoxy]ethyl hypochlorite.
What is the SMILES notation for 1-[4-(chloromethyl)phenoxy]ethyl hypochlorite?
The canonical SMILES for 1-[4-(chloromethyl)phenoxy]ethyl hypochlorite is CC(OCl)Oc1ccc(CCl)cc1.
What is the InChIKey of 1-[4-(chloromethyl)phenoxy]ethyl hypochlorite?
The InChIKey is HWUUVTYCIFAAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2/c1-7(13-11)12-9-4-2-8(6-10)3-5-9/h2-5,7H,6H2,1H3.
What are the key properties of 1-[4-(chloromethyl)phenoxy]ethyl hypochlorite?
1-[4-(chloromethyl)phenoxy]ethyl hypochlorite has a molecular weight of 221.08 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)phenoxy]ethyl hypochlorite is sourced from PubChem (CID 141305174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).