6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine

C10H11BrO2 — CID 123581940

IUPAC6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine
SMILESCCC1COc2cc(Br)ccc2O1
InChIInChI=1S/C10H11BrO2/c1-2-8-6-12-10-5-7(11)3-4-9(10)13-8/h3-5,8H,2,6H2,1H3
InChIKeyQVJYHVFPVODMBK-UHFFFAOYSA-N
MW243.10 g/mol
LogP3.00
Rot. Bonds1

About 6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine

6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine (PubChem CID 123581940) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine
PubChem CID123581940
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine
SMILESCCC1COc2cc(Br)ccc2O1
InChIInChI=1S/C10H11BrO2/c1-2-8-6-12-10-5-7(11)3-4-9(10)13-8/h3-5,8H,2,6H2,1H3
InChIKeyQVJYHVFPVODMBK-UHFFFAOYSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
6-bromo-3-(2-methoxypropyl)-2,3-dihydro-1,4-benzodioxine
CID 129037053
[(3R)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy-tert-butyl-dimethylsilane
CID 163215694
(6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane
CID 20785499
3-ethyl-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxine
CID 118028314
2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine
CID 20522114
(6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate
CID 23284889
[(3R)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate
CID 54071671
(2S)-5-bromo-2-methyl-1,3-benzodioxole
CID 67447010
2-ethyl-7-methyl-6-nitro-2,3-dihydro-1,4-benzodioxine
CID 160872300
[1-[[(3S)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methanamine
CID 54221636
(2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 129411607

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine (CID 123581940) is 6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine is CCC1COc2cc(Br)ccc2O1.
What is the InChIKey of 6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is QVJYHVFPVODMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-2-8-6-12-10-5-7(11)3-4-9(10)13-8/h3-5,8H,2,6H2,1H3.
What are the key properties of 6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine?
6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 243.10 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 123581940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).