2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol

C12H17BrO3 — CID 117466981

IUPAC2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(OC)c(C(C)(C)CO)c1Br
InChIInChI=1S/C12H17BrO3/c1-12(2,7-14)10-8(15-3)5-6-9(16-4)11(10)13/h5-6,14H,7H2,1-4H3
InChIKeyDZDYMYSZYLHEJB-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.74
Rot. Bonds4

About 2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol

2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol (PubChem CID 117466981) has the molecular formula C12H17BrO3 and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol
PubChem CID117466981
Molecular FormulaC12H17BrO3
Molecular Weight289.17 g/mol
Exact Mass288.04
IUPAC Name2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(OC)c(C(C)(C)CO)c1Br
InChIInChI=1S/C12H17BrO3/c1-12(2,7-14)10-8(15-3)5-6-9(16-4)11(10)13/h5-6,14H,7H2,1-4H3
InChIKeyDZDYMYSZYLHEJB-UHFFFAOYSA-N
XLogP2.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol
CID 117439684
2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol
CID 117394664
2-(3-fluoro-6-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303163
2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine
CID 84810436
2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303162
2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117488224
3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol
CID 117467037
3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol
CID 117488219
(2-bromo-6-fluoro-3-methoxyphenyl)methanol
CID 83383602
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile
CID 84808818
2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82126929

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol (CID 117466981) is 2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol is COc1ccc(OC)c(C(C)(C)CO)c1Br.
What is the InChIKey of 2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is DZDYMYSZYLHEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO3/c1-12(2,7-14)10-8(15-3)5-6-9(16-4)11(10)13/h5-6,14H,7H2,1-4H3.
What are the key properties of 2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol?
2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 289.17 g/mol, XLogP of 2.74, 4 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)-2-methylpropan-1-ol is sourced from PubChem (CID 117466981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).