3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol

C11H13BrO3 — CID 117434969

IUPAC3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
SMILESOCCCc1ccc2c(c1Br)OCCO2
InChIInChI=1S/C11H13BrO3/c12-10-8(2-1-5-13)3-4-9-11(10)15-7-6-14-9/h3-4,13H,1-2,5-7H2
InChIKeyVTPDHGPWEHKNSF-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.15
Rot. Bonds3

About 3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol

3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol (PubChem CID 117434969) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
PubChem CID117434969
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
SMILESOCCCc1ccc2c(c1Br)OCCO2
InChIInChI=1S/C11H13BrO3/c12-10-8(2-1-5-13)3-4-9-11(10)15-7-6-14-9/h3-4,13H,1-2,5-7H2
InChIKeyVTPDHGPWEHKNSF-UHFFFAOYSA-N
XLogP2.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117302751
4-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butan-1-amine
CID 117483666
3-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117470162
3-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117462920
3-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propan-1-ol
CID 117297659
3-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117470159
2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117297595
3-[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propan-1-ol
CID 117325304
(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 117289542
5-chloro-7-(3-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117363634
3-(4-propan-2-yl-1,3-benzodioxol-5-yl)propan-1-ol
CID 117318284
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol?
The IUPAC name of 3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol (CID 117434969) is 3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol.
What is the SMILES notation for 3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol?
The canonical SMILES for 3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol is OCCCc1ccc2c(c1Br)OCCO2.
What is the InChIKey of 3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol?
The InChIKey is VTPDHGPWEHKNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c12-10-8(2-1-5-13)3-4-9-11(10)15-7-6-14-9/h3-4,13H,1-2,5-7H2.
What are the key properties of 3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol?
3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol has a molecular weight of 273.13 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol is sourced from PubChem (CID 117434969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).