2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol

C13H19BrO3 — CID 117488224

IUPAC2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol
SMILESCCOc1c(OC)ccc(Br)c1C(C)(C)CO
InChIInChI=1S/C13H19BrO3/c1-5-17-12-10(16-4)7-6-9(14)11(12)13(2,3)8-15/h6-7,15H,5,8H2,1-4H3
InChIKeyVSTLHKUXKFATDY-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.13
Rot. Bonds5

About 2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol

2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol (PubChem CID 117488224) has the molecular formula C13H19BrO3 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol
PubChem CID117488224
Molecular FormulaC13H19BrO3
Molecular Weight303.20 g/mol
Exact Mass302.05
IUPAC Name2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol
SMILESCCOc1c(OC)ccc(Br)c1C(C)(C)CO
InChIInChI=1S/C13H19BrO3/c1-5-17-12-10(16-4)7-6-9(14)11(12)13(2,3)8-15/h6-7,15H,5,8H2,1-4H3
InChIKeyVSTLHKUXKFATDY-UHFFFAOYSA-N
XLogP3.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117322280
2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117466981
2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 117467060
2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol
CID 117468570
1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol
CID 117462959
2-[2-[(6-bromo-2-ethoxy-3-methoxyphenyl)methylamino]ethylamino]ethanol
CID 66538981
1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
CID 171000857
N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline
CID 66543424
2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 66536812
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
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

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol (CID 117488224) is 2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol is CCOc1c(OC)ccc(Br)c1C(C)(C)CO.
What is the InChIKey of 2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is VSTLHKUXKFATDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO3/c1-5-17-12-10(16-4)7-6-9(14)11(12)13(2,3)8-15/h6-7,15H,5,8H2,1-4H3.
What are the key properties of 2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol?
2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 303.20 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117488224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).