6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine

C11H13ClO2 — CID 61083741

IUPAC6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine
SMILESCCC(Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H13ClO2/c1-2-9(12)8-3-4-10-11(7-8)14-6-5-13-10/h3-4,7,9H,2,5-6H2,1H3
InChIKeyAXVGFQZFGDHICS-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.15
Rot. Bonds2

About 6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine

6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 61083741) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine
PubChem CID61083741
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine
SMILESCCC(Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H13ClO2/c1-2-9(12)8-3-4-10-11(7-8)14-6-5-13-10/h3-4,7,9H,2,5-6H2,1H3
InChIKeyAXVGFQZFGDHICS-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.15
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

6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
6-(1-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 82081024
6-(1-bromopropyl)-2,3-dihydro-1,4-benzodioxine
CID 61098299
6-[1-chloro-2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63433566
6-(3-chlorohexan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 83051147
6-(3-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 66470243
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454
4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine
CID 66461797
6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61086135
1-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-2-ol
CID 82080447
6-[chloro-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 79083570

Frequently Asked Questions

What is the IUPAC name of 6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine (CID 61083741) is 6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine is CCC(Cl)c1ccc2c(c1)OCCO2.
What is the InChIKey of 6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is AXVGFQZFGDHICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-2-9(12)8-3-4-10-11(7-8)14-6-5-13-10/h3-4,7,9H,2,5-6H2,1H3.
What are the key properties of 6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine?
6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 212.68 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 61083741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).