7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine

C10H10BrClO2 — CID 84714678

IUPAC7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine
SMILESCCc1c(Br)cc2c(c1Cl)OCCO2
InChIInChI=1S/C10H10BrClO2/c1-2-6-7(11)5-8-10(9(6)12)14-4-3-13-8/h5H,2-4H2,1H3
InChIKeyNWEXSTOXWYJBPP-UHFFFAOYSA-N
MW277.54 g/mol
LogP3.44
Rot. Bonds1

About 7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine

7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine (PubChem CID 84714678) has the molecular formula C10H10BrClO2 and a molecular weight of 277.54 g/mol. Its IUPAC name is 7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine
PubChem CID84714678
Molecular FormulaC10H10BrClO2
Molecular Weight277.54 g/mol
Exact Mass275.96
IUPAC Name7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine
SMILESCCc1c(Br)cc2c(c1Cl)OCCO2
InChIInChI=1S/C10H10BrClO2/c1-2-6-7(11)5-8-10(9(6)12)14-4-3-13-8/h5H,2-4H2,1H3
InChIKeyNWEXSTOXWYJBPP-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.54
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 84713196
5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine-7-carbonitrile
CID 117320984
2-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117392753
3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117423040
2-(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117483712
1-(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-amine
CID 84815902
1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine
CID 117361151
2-(7-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 84702910
1-(7-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 84702911
6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol
CID 90370994
(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
CID 117400769
1-(5-bromo-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 84715496

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine (CID 84714678) is 7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine is CCc1c(Br)cc2c(c1Cl)OCCO2.
What is the InChIKey of 7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is NWEXSTOXWYJBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-2-6-7(11)5-8-10(9(6)12)14-4-3-13-8/h5H,2-4H2,1H3.
What are the key properties of 7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine?
7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 277.54 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 84714678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).