1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol

C12H17BrO2 — CID 114447732

IUPAC1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)COc1cccc(Br)c1
InChIInChI=1S/C12H17BrO2/c1-9(2)12(3,14)8-15-11-6-4-5-10(13)7-11/h4-7,9,14H,8H2,1-3H3
InChIKeyRYHOYYWTFVMUFZ-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.23
Rot. Bonds4

About 1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol

1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol (PubChem CID 114447732) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol
PubChem CID114447732
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)COc1cccc(Br)c1
InChIInChI=1S/C12H17BrO2/c1-9(2)12(3,14)8-15-11-6-4-5-10(13)7-11/h4-7,9,14H,8H2,1-3H3
InChIKeyRYHOYYWTFVMUFZ-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 104930630
3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide
CID 64999626
2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol
CID 114491732
1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114491649
1-(3-bromophenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335329
1-(3-bromophenoxy)-4,4-dimethylpentan-2-one
CID 71192794
2-(3-bromophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7818301
5-bromo-2-(2-hydroxy-2,3-dimethylbutoxy)benzaldehyde
CID 114493960
2-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110128
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
1-bromo-3-[(2R)-2-methoxypropoxy]benzene
CID 130454030
1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol
CID 114496029

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol (CID 114447732) is 1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)COc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol?
The InChIKey is RYHOYYWTFVMUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-9(2)12(3,14)8-15-11-6-4-5-10(13)7-11/h4-7,9,14H,8H2,1-3H3.
What are the key properties of 1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol?
1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol has a molecular weight of 273.17 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114447732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).