3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol

C11H14BrClO2 — CID 175336330

IUPAC3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H14BrClO2/c1-11(2,6-14)7-15-8-3-4-9(12)10(13)5-8/h3-5,14H,6-7H2,1-2H3
InChIKeyGHNQXVOEZOAGMR-UHFFFAOYSA-N
MW293.59 g/mol
LogP3.50
Rot. Bonds4

About 3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol

3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol (PubChem CID 175336330) has the molecular formula C11H14BrClO2 and a molecular weight of 293.59 g/mol. Its IUPAC name is 3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol
PubChem CID175336330
Molecular FormulaC11H14BrClO2
Molecular Weight293.59 g/mol
Exact Mass291.99
IUPAC Name3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H14BrClO2/c1-11(2,6-14)7-15-8-3-4-9(12)10(13)5-8/h3-5,14H,6-7H2,1-2H3
InChIKeyGHNQXVOEZOAGMR-UHFFFAOYSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.59
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019164
3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 11031093
2-(4-bromo-3-chlorophenoxy)acetic acid
CID 22633682
methyl 2-(4-bromo-3-chlorophenoxy)acetate
CID 171692268
2-(4-bromo-3-chlorophenoxy)acetamide
CID 130655715
(2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol
CID 129250594
2-(4-bromo-3-chlorophenoxy)acetonitrile
CID 130608314
2-(4-bromo-3-chlorophenoxy)acetaldehyde
CID 130729736
(2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol
CID 130721867
3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol
CID 106941424
3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane
CID 164578565
3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol
CID 81217572

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol (CID 175336330) is 3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol is CC(C)(CO)COc1ccc(Br)c(Cl)c1.
What is the InChIKey of 3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol?
The InChIKey is GHNQXVOEZOAGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClO2/c1-11(2,6-14)7-15-8-3-4-9(12)10(13)5-8/h3-5,14H,6-7H2,1-2H3.
What are the key properties of 3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol?
3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol has a molecular weight of 293.59 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 175336330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).