1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol

C12H16Br2O3 — CID 114496104

IUPAC1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1cc(Br)c(OC)cc1Br
InChIInChI=1S/C12H16Br2O3/c1-4-12(2,15)7-17-11-6-8(13)10(16-3)5-9(11)14/h5-6,15H,4,7H2,1-3H3
InChIKeyJRBZLOWSLFSNMS-UHFFFAOYSA-N
MW368.07 g/mol
LogP3.76
Rot. Bonds5

About 1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol

1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol (PubChem CID 114496104) has the molecular formula C12H16Br2O3 and a molecular weight of 368.07 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol
PubChem CID114496104
Molecular FormulaC12H16Br2O3
Molecular Weight368.07 g/mol
Exact Mass365.95
IUPAC Name1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1cc(Br)c(OC)cc1Br
InChIInChI=1S/C12H16Br2O3/c1-4-12(2,15)7-17-11-6-8(13)10(16-3)5-9(11)14/h5-6,15H,4,7H2,1-3H3
InChIKeyJRBZLOWSLFSNMS-UHFFFAOYSA-N
XLogP3.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.07
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(2,5-dibromo-4-methoxyphenoxy)-2-hydroxy-2-methylpropanoate
CID 79415233
1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol
CID 107100783
1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene
CID 79529092
1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol
CID 114491704
1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene
CID 11233233
N-[2-(2,5-dibromo-4-methoxyphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 79403943
2-(2,5-dibromo-4-methoxyphenoxy)acetaldehyde
CID 79404227
4-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117288
1-amino-2-(4-bromo-2,5-dimethoxyphenyl)ethane-1,1-diol
CID 167477101
1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol
CID 114495975
2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine
CID 104523396
5-(2,5-dibromo-4-methoxyphenoxy)-N'-hydroxypentanimidamide
CID 79404299

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol?
The IUPAC name of 1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol (CID 114496104) is 1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol?
The canonical SMILES for 1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol is CCC(C)(O)COc1cc(Br)c(OC)cc1Br.
What is the InChIKey of 1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol?
The InChIKey is JRBZLOWSLFSNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2O3/c1-4-12(2,15)7-17-11-6-8(13)10(16-3)5-9(11)14/h5-6,15H,4,7H2,1-3H3.
What are the key properties of 1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol?
1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol has a molecular weight of 368.07 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol is sourced from PubChem (CID 114496104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).