2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol

C11H15BrO3 — CID 117439684

IUPAC2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol
SMILESCOc1ccc(OC)c(C(C)(C)O)c1Br
InChIInChI=1S/C11H15BrO3/c1-11(2,13)9-7(14-3)5-6-8(15-4)10(9)12/h5-6,13H,1-4H3
InChIKeyYOZFBIJKABCBPZ-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.69
Rot. Bonds3

About 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol

2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol (PubChem CID 117439684) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol
PubChem CID117439684
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol
SMILESCOc1ccc(OC)c(C(C)(C)O)c1Br
InChIInChI=1S/C11H15BrO3/c1-11(2,13)9-7(14-3)5-6-8(15-4)10(9)12/h5-6,13H,1-4H3
InChIKeyYOZFBIJKABCBPZ-UHFFFAOYSA-N
XLogP2.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine
CID 84810436
2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117466981
2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile
CID 84808818
2-(2,3-dimethoxy-6-methylphenyl)propan-2-ol
CID 117300531
N-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide
CID 117486520
2-[2,6-dimethoxy-3-(methoxymethyl)phenyl]propan-2-ol
CID 117353557
1-(2-bromo-3,6-dimethoxyphenyl)ethanol
CID 117406483
2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol
CID 165348100
tert-butyl 2-(3-bromo-2,4-dimethoxyphenyl)propanoate
CID 103523778
3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 84677805
3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol
CID 117470204
(2-bromo-6-fluoro-3-methoxyphenyl)methanol
CID 83383602

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol?
The IUPAC name of 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol (CID 117439684) is 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol is COc1ccc(OC)c(C(C)(C)O)c1Br.
What is the InChIKey of 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol?
The InChIKey is YOZFBIJKABCBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-11(2,13)9-7(14-3)5-6-8(15-4)10(9)12/h5-6,13H,1-4H3.
What are the key properties of 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol?
2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol has a molecular weight of 275.14 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol is sourced from PubChem (CID 117439684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).