2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol

C11H13BrO3 — CID 105424219

IUPAC2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
SMILESCC(CO)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C11H13BrO3/c1-7(6-13)8-4-10-11(5-9(8)12)15-3-2-14-10/h4-5,7,13H,2-3,6H2,1H3
InChIKeyBAEZWVHRLNBKEZ-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.32
Rot. Bonds2

About 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol (PubChem CID 105424219) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
PubChem CID105424219
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
SMILESCC(CO)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C11H13BrO3/c1-7(6-13)8-4-10-11(5-9(8)12)15-3-2-14-10/h4-5,7,13H,2-3,6H2,1H3
InChIKeyBAEZWVHRLNBKEZ-UHFFFAOYSA-N
XLogP2.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol
CID 117362154
2-(6-bromospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)propan-1-ol
CID 117481854
6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine
CID 61096359
8-(1-hydroxypropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117321995
2-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-ol
CID 117325368
2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117488073
6-bromo-7-(1-chloro-4-methylpentyl)-2,3-dihydro-1,4-benzodioxine
CID 63433116
7-bromo-8-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine
CID 84712960
2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 105424279
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine
CID 43131945
(1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(1,3-dioxolan-2-ylmethyl)ethanamine
CID 129398070
2-(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117488076

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol (CID 105424219) is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol is CC(CO)c1cc2c(cc1Br)OCCO2.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol?
The InChIKey is BAEZWVHRLNBKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-7(6-13)8-4-10-11(5-9(8)12)15-3-2-14-10/h4-5,7,13H,2-3,6H2,1H3.
What are the key properties of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol?
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol has a molecular weight of 273.13 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol is sourced from PubChem (CID 105424219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).