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

C14H12Cl2O3 — CID 61086051

IUPAC6-chloro-7-[chloro-(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESCc1ccoc1C(Cl)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C14H12Cl2O3/c1-8-2-3-19-14(8)13(16)9-6-11-12(7-10(9)15)18-5-4-17-11/h2-3,6-7,13H,4-5H2,1H3
InChIKeySUEVEHNSKPHZHL-UHFFFAOYSA-N
MW299.15 g/mol
LogP4.34
Rot. Bonds2

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

6-chloro-7-[chloro-(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 61086051) has the molecular formula C14H12Cl2O3 and a molecular weight of 299.15 g/mol. Its IUPAC name is 6-chloro-7-[chloro-(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-chloro-7-[chloro-(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID61086051
Molecular FormulaC14H12Cl2O3
Molecular Weight299.15 g/mol
Exact Mass298.02
IUPAC Name6-chloro-7-[chloro-(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESCc1ccoc1C(Cl)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C14H12Cl2O3/c1-8-2-3-19-14(8)13(16)9-6-11-12(7-10(9)15)18-5-4-17-11/h2-3,6-7,13H,4-5H2,1H3
InChIKeySUEVEHNSKPHZHL-UHFFFAOYSA-N
XLogP4.34
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[chloro-(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-chloro-7-[chloro-(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine (CID 61086051) is 6-chloro-7-[chloro-(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-chloro-7-[chloro-(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-chloro-7-[chloro-(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine is Cc1ccoc1C(Cl)c1cc2c(cc1Cl)OCCO2.
What is the InChIKey of 6-chloro-7-[chloro-(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is SUEVEHNSKPHZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O3/c1-8-2-3-19-14(8)13(16)9-6-11-12(7-10(9)15)18-5-4-17-11/h2-3,6-7,13H,4-5H2,1H3.
What are the key properties of 6-chloro-7-[chloro-(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine?
6-chloro-7-[chloro-(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 299.15 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[chloro-(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 61086051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).