4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol

C12H16Br2O3 — CID 107738999

IUPAC4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1c(Br)cc(CO)cc1Br
InChIInChI=1S/C12H16Br2O3/c1-12(2,16)3-4-17-11-9(13)5-8(7-15)6-10(11)14/h5-6,15-16H,3-4,7H2,1-2H3
InChIKeyUQBZEHIECAVAQZ-UHFFFAOYSA-N
MW368.07 g/mol
LogP3.24
Rot. Bonds5

About 4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol

4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol (PubChem CID 107738999) has the molecular formula C12H16Br2O3 and a molecular weight of 368.07 g/mol. Its IUPAC name is 4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
PubChem CID107738999
Molecular FormulaC12H16Br2O3
Molecular Weight368.07 g/mol
Exact Mass365.95
IUPAC Name4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1c(Br)cc(CO)cc1Br
InChIInChI=1S/C12H16Br2O3/c1-12(2,16)3-4-17-11-9(13)5-8(7-15)6-10(11)14/h5-6,15-16H,3-4,7H2,1-2H3
InChIKeyUQBZEHIECAVAQZ-UHFFFAOYSA-N
XLogP3.24
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.07
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol
CID 79355276
3,5-dibromo-4-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 107738170
(3,5-dibromo-4-butoxyphenyl)methanol
CID 107738793
1,3-dibromo-5-(chloromethyl)-2-(3,3-dimethylbutoxy)benzene
CID 107745345
[3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol
CID 107738867
[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol
CID 107739120
[3-bromo-5-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol
CID 112590025
[3,5-dibromo-4-(2-propan-2-ylsulfonylethoxy)phenyl]methanol
CID 107738877
[3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol
CID 107738736
2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 79360580
[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol
CID 54958089
[3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol
CID 107739092

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol (CID 107738999) is 4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol is CC(C)(O)CCOc1c(Br)cc(CO)cc1Br.
What is the InChIKey of 4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol?
The InChIKey is UQBZEHIECAVAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2O3/c1-12(2,16)3-4-17-11-9(13)5-8(7-15)6-10(11)14/h5-6,15-16H,3-4,7H2,1-2H3.
What are the key properties of 4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol?
4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol has a molecular weight of 368.07 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 107738999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).