3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol

C11H15BrO3 — CID 104705248

IUPAC3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol
SMILESCOc1ccc(OCC(C)CO)c(Br)c1
InChIInChI=1S/C11H15BrO3/c1-8(6-13)7-15-11-4-3-9(14-2)5-10(11)12/h3-5,8,13H,6-7H2,1-2H3
InChIKeyBHHVKZMEXQTXEQ-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.46
Rot. Bonds5

About 3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol

3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol (PubChem CID 104705248) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol
PubChem CID104705248
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol
SMILESCOc1ccc(OCC(C)CO)c(Br)c1
InChIInChI=1S/C11H15BrO3/c1-8(6-13)7-15-11-4-3-9(14-2)5-10(11)12/h3-5,8,13H,6-7H2,1-2H3
InChIKeyBHHVKZMEXQTXEQ-UHFFFAOYSA-N
XLogP2.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-(3-hydroxy-2-methylpropoxy)benzaldehyde
CID 115870724
2-amino-3-(2-bromo-4-methoxyphenoxy)propanamide
CID 104706367
3-(2-bromo-4-methoxyphenoxy)-2-phenylpropanoic acid
CID 104708587
2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene
CID 176513361
2-(bromomethyl)-1-(2,4-dimethylpentoxy)-4-methoxybenzene
CID 114200331
2-bromo-4-methoxy-1-[2-(3-methylbutoxy)ethoxy]benzene
CID 104707260
3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol
CID 115872019
4-(2-bromo-4-methoxyphenoxy)butan-2-one
CID 104708081
5-methoxy-2-(2-methylbutoxy)aniline
CID 62103254
2-bromo-4-methoxy-1-(4,4,4-trifluorobutoxy)benzene
CID 113443609
5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide
CID 104708673
2-[(2-bromo-4-methoxyphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 104708677

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol?
The IUPAC name of 3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol (CID 104705248) is 3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol is COc1ccc(OCC(C)CO)c(Br)c1.
What is the InChIKey of 3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol?
The InChIKey is BHHVKZMEXQTXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-8(6-13)7-15-11-4-3-9(14-2)5-10(11)12/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of 3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol?
3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol has a molecular weight of 275.14 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol is sourced from PubChem (CID 104705248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).