1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol

C11H15BrO2 — CID 60878410

IUPAC1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol
SMILESCc1ccc(OCC(C)(C)O)c(Br)c1
InChIInChI=1S/C11H15BrO2/c1-8-4-5-10(9(12)6-8)14-7-11(2,3)13/h4-6,13H,7H2,1-3H3
InChIKeyBANMRKOUCCLZJU-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.91
Rot. Bonds3

About 1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol

1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol (PubChem CID 60878410) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol
PubChem CID60878410
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol
SMILESCc1ccc(OCC(C)(C)O)c(Br)c1
InChIInChI=1S/C11H15BrO2/c1-8-4-5-10(9(12)6-8)14-7-11(2,3)13/h4-6,13H,7H2,1-3H3
InChIKeyBANMRKOUCCLZJU-UHFFFAOYSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(3-bromo-2,2-dimethylpropoxy)-4-methylbenzene
CID 64995276
3-(2-bromo-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 20984394
ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol
CID 145227313
1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 63061654
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
1-(2-bromo-4-methylphenoxy)butan-2-one
CID 62040640
2-bromo-4-methyl-1-propoxybenzene
CID 21057754
2-bromo-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene
CID 117058856
6-(2-bromo-4-methylphenoxy)hexan-1-ol
CID 103801841
2-bromo-1-(3-methoxypropoxy)-4-methylbenzene
CID 60778653
2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 965418

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol (CID 60878410) is 1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol is Cc1ccc(OCC(C)(C)O)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol?
The InChIKey is BANMRKOUCCLZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-8-4-5-10(9(12)6-8)14-7-11(2,3)13/h4-6,13H,7H2,1-3H3.
What are the key properties of 1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol?
1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol has a molecular weight of 259.14 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 60878410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).