4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane

C13H15Cl3O2 — CID 62385711

IUPAC4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane
SMILESClCc1cc(Cl)cc(Cl)c1OCC1CCOCC1
InChIInChI=1S/C13H15Cl3O2/c14-7-10-5-11(15)6-12(16)13(10)18-8-9-1-3-17-4-2-9/h5-6,9H,1-4,7-8H2
InChIKeyHZVPZLYDSSDQAY-UHFFFAOYSA-N
MW309.62 g/mol
LogP4.54
Rot. Bonds4

About 4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane

4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane (PubChem CID 62385711) has the molecular formula C13H15Cl3O2 and a molecular weight of 309.62 g/mol. Its IUPAC name is 4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane.

Molecular Properties

Compound Name4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane
PubChem CID62385711
Molecular FormulaC13H15Cl3O2
Molecular Weight309.62 g/mol
Exact Mass308.01
IUPAC Name4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane
SMILESClCc1cc(Cl)cc(Cl)c1OCC1CCOCC1
InChIInChI=1S/C13H15Cl3O2/c14-7-10-5-11(15)6-12(16)13(10)18-8-9-1-3-17-4-2-9/h5-6,9H,1-4,7-8H2
InChIKeyHZVPZLYDSSDQAY-UHFFFAOYSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.62
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-dichloro-3-(chloromethyl)-2-(cyclopropylmethoxymethoxy)benzene
CID 106929887
2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977002
1-(bromomethyl)-3,5-dichloro-2-(cyclobutylmethoxy)benzene
CID 65458771
2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine
CID 65459079
1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
1-bromo-3,5-dichloro-2-(cyclopropylmethoxy)benzene
CID 171366277
N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine
CID 63499376
5-bromo-3-chloro-2-(oxan-4-ylmethoxy)benzenesulfonyl chloride
CID 62386935
1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene
CID 65175655
1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene
CID 63536214
2-[[2-(bromomethyl)-4,6-dichlorophenoxy]methyl]oxane
CID 43592015
4-chloro-3-methyl-2-(oxan-4-ylmethoxy)aniline
CID 112740954

Frequently Asked Questions

What is the IUPAC name of 4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane?
The IUPAC name of 4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane (CID 62385711) is 4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane.
What is the SMILES notation for 4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane?
The canonical SMILES for 4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane is ClCc1cc(Cl)cc(Cl)c1OCC1CCOCC1.
What is the InChIKey of 4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane?
The InChIKey is HZVPZLYDSSDQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3O2/c14-7-10-5-11(15)6-12(16)13(10)18-8-9-1-3-17-4-2-9/h5-6,9H,1-4,7-8H2.
What are the key properties of 4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane?
4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane has a molecular weight of 309.62 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane is sourced from PubChem (CID 62385711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).