6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine

C15H11Cl3O2 — CID 63434010

IUPAC6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESClc1cccc(Cl)c1C(Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H11Cl3O2/c16-10-2-1-3-11(17)14(10)15(18)9-4-5-12-13(8-9)20-7-6-19-12/h1-5,8,15H,6-7H2
InChIKeyBBKIIHPBZZODSJ-UHFFFAOYSA-N
MW329.61 g/mol
LogP5.09
Rot. Bonds2

About 6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine

6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 63434010) has the molecular formula C15H11Cl3O2 and a molecular weight of 329.61 g/mol. Its IUPAC name is 6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID63434010
Molecular FormulaC15H11Cl3O2
Molecular Weight329.61 g/mol
Exact Mass327.98
IUPAC Name6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESClc1cccc(Cl)c1C(Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H11Cl3O2/c16-10-2-1-3-11(17)14(10)15(18)9-4-5-12-13(8-9)20-7-6-19-12/h1-5,8,15H,6-7H2
InChIKeyBBKIIHPBZZODSJ-UHFFFAOYSA-N
XLogP5.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.61
LogP ≤ 55.09
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-(2,6-dichlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43483343
7-[chloro-(2,3-dichlorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63429460
6-[chloro-(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61084137
6-[chloro-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63433969
6-[chloro-(3-chlorothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 80530414
6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61086135
6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 82772655
6-[chloro-(2,3-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63434057
6-[chloro-(2,6-difluoro-3-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 82799538
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
6-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,3-dihydro-1,4-benzodioxine
CID 107991454
2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde
CID 87256824

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine (CID 63434010) is 6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine is Clc1cccc(Cl)c1C(Cl)c1ccc2c(c1)OCCO2.
What is the InChIKey of 6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is BBKIIHPBZZODSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O2/c16-10-2-1-3-11(17)14(10)15(18)9-4-5-12-13(8-9)20-7-6-19-12/h1-5,8,15H,6-7H2.
What are the key properties of 6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 329.61 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 63434010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).