1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol

C11H14Br2O2 — CID 107978543

IUPAC1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H14Br2O2/c1-7(2)15-6-11(14)8-3-9(12)5-10(13)4-8/h3-5,7,11,14H,6H2,1-2H3
InChIKeyBFCFPXSKIXUNFM-UHFFFAOYSA-N
MW338.04 g/mol
LogP3.67
Rot. Bonds4

About 1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol

1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol (PubChem CID 107978543) has the molecular formula C11H14Br2O2 and a molecular weight of 338.04 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol
PubChem CID107978543
Molecular FormulaC11H14Br2O2
Molecular Weight338.04 g/mol
Exact Mass335.94
IUPAC Name1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H14Br2O2/c1-7(2)15-6-11(14)8-3-9(12)5-10(13)4-8/h3-5,7,11,14H,6H2,1-2H3
InChIKeyBFCFPXSKIXUNFM-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.04
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol 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

[1-(3,5-dibromophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 107979282
1-(3,5-dibromophenyl)butan-1-ol
CID 107978200
1-(4-fluorophenyl)-2-propan-2-yloxyethanol
CID 79567387
1-(3-bromo-5-chlorophenyl)-2-methoxyethanol
CID 107947641
(1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol
CID 155023348
1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol
CID 60900042
1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol
CID 107978288
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol
CID 79567818
1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 107946370
(1R)-1-[3-bromo-5-[(1R)-1-hydroxyethyl]phenyl]ethanol
CID 101105298
1-[[(1S)-1-(3-bromophenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81381416
1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol
CID 79567530

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol?
The IUPAC name of 1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol (CID 107978543) is 1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol?
The canonical SMILES for 1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol is CC(C)OCC(O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol?
The InChIKey is BFCFPXSKIXUNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2O2/c1-7(2)15-6-11(14)8-3-9(12)5-10(13)4-8/h3-5,7,11,14H,6H2,1-2H3.
What are the key properties of 1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol?
1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol has a molecular weight of 338.04 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol is sourced from PubChem (CID 107978543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).