6-chloro-7-[chloro-(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine

C15H11Cl3O2 — CID 63432735

IUPAC6-chloro-7-[chloro-(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESClc1ccccc1C(Cl)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C15H11Cl3O2/c16-11-4-2-1-3-9(11)15(18)10-7-13-14(8-12(10)17)20-6-5-19-13/h1-4,7-8,15H,5-6H2
InChIKeyIYGRLKRSFCPTGK-UHFFFAOYSA-N
MW329.61 g/mol
LogP5.09
Rot. Bonds2

About 6-chloro-7-[chloro-(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine

6-chloro-7-[chloro-(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 63432735) has the molecular formula C15H11Cl3O2 and a molecular weight of 329.61 g/mol. Its IUPAC name is 6-chloro-7-[chloro-(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-chloro-7-[chloro-(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID63432735
Molecular FormulaC15H11Cl3O2
Molecular Weight329.61 g/mol
Exact Mass327.98
IUPAC Name6-chloro-7-[chloro-(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESClc1ccccc1C(Cl)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C15H11Cl3O2/c16-11-4-2-1-3-9(11)15(18)10-7-13-14(8-12(10)17)20-6-5-19-13/h1-4,7-8,15H,5-6H2
InChIKeyIYGRLKRSFCPTGK-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

7-chloro-8-[chloro-(2-iodophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63432946
6-chloro-7-[chloro-(5-chloro-2-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 82874967
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,6-dichlorophenyl)methanamine
CID 43330448
6-bromo-7-[chloro-(3-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 81265650
6-bromo-7-[chloro-(3-chloro-2-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 107099079
6-chloro-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43674521
6-chloro-7-[chloro-(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61086051
1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
CID 55200431
6-chloro-7-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 103404596
8-[(4-bromophenyl)-chloromethyl]-7-chloro-3,4-dihydro-2H-1,5-benzodioxepine
CID 63432857
7-[(5-bromothiophen-3-yl)-chloromethyl]-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 114021610
6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 80738912

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[chloro-(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-chloro-7-[chloro-(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine (CID 63432735) is 6-chloro-7-[chloro-(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-chloro-7-[chloro-(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-chloro-7-[chloro-(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine is Clc1ccccc1C(Cl)c1cc2c(cc1Cl)OCCO2.
What is the InChIKey of 6-chloro-7-[chloro-(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is IYGRLKRSFCPTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O2/c16-11-4-2-1-3-9(11)15(18)10-7-13-14(8-12(10)17)20-6-5-19-13/h1-4,7-8,15H,5-6H2.
What are the key properties of 6-chloro-7-[chloro-(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
6-chloro-7-[chloro-(2-chlorophenyl)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-7-[chloro-(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 63432735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).