2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol

C11H13BrO3 — CID 117434918

IUPAC2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol
SMILESCCc1c(CCO)cc2c(c1Br)OCO2
InChIInChI=1S/C11H13BrO3/c1-2-8-7(3-4-13)5-9-11(10(8)12)15-6-14-9/h5,13H,2-4,6H2,1H3
InChIKeyFFBDAFPJIZWTMO-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.28
Rot. Bonds3

About 2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol

2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol (PubChem CID 117434918) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol.

Molecular Properties

Compound Name2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol
PubChem CID117434918
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol
SMILESCCc1c(CCO)cc2c(c1Br)OCO2
InChIInChI=1S/C11H13BrO3/c1-2-8-7(3-4-13)5-9-11(10(8)12)15-6-14-9/h5,13H,2-4,6H2,1H3
InChIKeyFFBDAFPJIZWTMO-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)acetonitrile
CID 84808158
2-(5-bromo-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 117460829
2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol
CID 117284510
4-bromo-6-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 84705938
2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol
CID 117305868
2-amino-2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)acetic acid
CID 117486092
N-[(5-bromo-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 117464987
6-bromo-4-ethyl-1,3-benzodioxol-5-ol
CID 84704791
2-(9-bromo-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 117484958
2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol
CID 117333233
2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)-N-methylethanamine
CID 117441638
N-[(7-bromo-6-methyl-1,3-benzodioxol-5-yl)methyl]hydroxylamine
CID 117403820

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol?
The IUPAC name of 2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol (CID 117434918) is 2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol.
What is the SMILES notation for 2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol?
The canonical SMILES for 2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol is CCc1c(CCO)cc2c(c1Br)OCO2.
What is the InChIKey of 2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol?
The InChIKey is FFBDAFPJIZWTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-2-8-7(3-4-13)5-9-11(10(8)12)15-6-14-9/h5,13H,2-4,6H2,1H3.
What are the key properties of 2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol?
2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol has a molecular weight of 273.13 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol is sourced from PubChem (CID 117434918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).