6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine

C15H13BrO2 — CID 138488049

IUPAC6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine
SMILESCc1cccc(-c2ccc3c(c2)OCCO3)c1Br
InChIInChI=1S/C15H13BrO2/c1-10-3-2-4-12(15(10)16)11-5-6-13-14(9-11)18-8-7-17-13/h2-6,9H,7-8H2,1H3
InChIKeyXNZXKFQZLMEWSQ-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.20
Rot. Bonds1

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

6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 138488049) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine
PubChem CID138488049
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine
SMILESCc1cccc(-c2ccc3c(c2)OCCO3)c1Br
InChIInChI=1S/C15H13BrO2/c1-10-3-2-4-12(15(10)16)11-5-6-13-14(9-11)18-8-7-17-13/h2-6,9H,7-8H2,1H3
InChIKeyXNZXKFQZLMEWSQ-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol
CID 164615718
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoroaniline
CID 107602794
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]ethynyl-trimethyl-λ4-sulfane
CID 145435778
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole
CID 164566293
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline
CID 82766369
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
4-[(E)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]ethenyl]benzaldehyde
CID 138632484
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorobenzonitrile
CID 162515176
[4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol
CID 164615298
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene
CID 147690466

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine (CID 138488049) is 6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine is Cc1cccc(-c2ccc3c(c2)OCCO3)c1Br.
What is the InChIKey of 6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is XNZXKFQZLMEWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-10-3-2-4-12(15(10)16)11-5-6-13-14(9-11)18-8-7-17-13/h2-6,9H,7-8H2,1H3.
What are the key properties of 6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine?
6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 305.17 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 138488049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).