1-(4-bromophenoxy)-2-methylpropan-2-ol

C10H13BrO2 — CID 21186342

IUPAC1-(4-bromophenoxy)-2-methylpropan-2-ol
SMILESCC(C)(O)COc1ccc(Br)cc1
InChIInChI=1S/C10H13BrO2/c1-10(2,12)7-13-9-5-3-8(11)4-6-9/h3-6,12H,7H2,1-2H3
InChIKeyOQEFXIZFKZLIHQ-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.60
Rot. Bonds3

About 1-(4-bromophenoxy)-2-methylpropan-2-ol

1-(4-bromophenoxy)-2-methylpropan-2-ol (PubChem CID 21186342) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-2-methylpropan-2-ol
PubChem CID21186342
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-(4-bromophenoxy)-2-methylpropan-2-ol
SMILESCC(C)(O)COc1ccc(Br)cc1
InChIInChI=1S/C10H13BrO2/c1-10(2,12)7-13-9-5-3-8(11)4-6-9/h3-6,12H,7H2,1-2H3
InChIKeyOQEFXIZFKZLIHQ-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol
CID 60884005
4-(4-bromophenoxy)-3,3-dimethylbutanoic acid
CID 19031343
1-[4-(1-hydroxypropyl)phenoxy]-2-methylpropan-2-ol
CID 60883807
1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol
CID 60878783
1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
CID 99716802
N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide
CID 60879910
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
2-methyl-1-[(6-methyl-3-pyridinyl)oxy]propan-2-ol
CID 129451823
1-bromo-4-[2-(bromomethyl)-2-ethylbutoxy]benzene
CID 64998409
1-[2-(4-bromophenoxy)ethoxy]-2-methylpropan-2-amine
CID 64537776
3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79381735
1-(4-bromophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol
CID 66854163

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-2-methylpropan-2-ol (CID 21186342) is 1-(4-bromophenoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-2-methylpropan-2-ol is CC(C)(O)COc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenoxy)-2-methylpropan-2-ol?
The InChIKey is OQEFXIZFKZLIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-10(2,12)7-13-9-5-3-8(11)4-6-9/h3-6,12H,7H2,1-2H3.
What are the key properties of 1-(4-bromophenoxy)-2-methylpropan-2-ol?
1-(4-bromophenoxy)-2-methylpropan-2-ol has a molecular weight of 245.12 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 21186342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).