3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol

C12H14Br2O2 — CID 79334570

IUPAC3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol
SMILESCCOc1c(Br)cc(Br)cc1C=C(C)CO
InChIInChI=1S/C12H14Br2O2/c1-3-16-12-9(4-8(2)7-15)5-10(13)6-11(12)14/h4-6,15H,3,7H2,1-2H3
InChIKeyIBJSSJSURAYMOT-UHFFFAOYSA-N
MW350.05 g/mol
LogP4.01
Rot. Bonds4

About 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol

3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol (PubChem CID 79334570) has the molecular formula C12H14Br2O2 and a molecular weight of 350.05 g/mol. Its IUPAC name is 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol
PubChem CID79334570
Molecular FormulaC12H14Br2O2
Molecular Weight350.05 g/mol
Exact Mass347.94
IUPAC Name3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol
SMILESCCOc1c(Br)cc(Br)cc1C=C(C)CO
InChIInChI=1S/C12H14Br2O2/c1-3-16-12-9(4-8(2)7-15)5-10(13)6-11(12)14/h4-6,15H,3,7H2,1-2H3
InChIKeyIBJSSJSURAYMOT-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-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

3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334797
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329832
3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335248
3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340569
1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene
CID 130532004
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-enal
CID 79331302
N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine
CID 75574757
2-[(3,5-dibromo-2-ethoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329452
3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79330153
5-[(3,5-dibromo-2-ethoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598848
(Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092906
2-[(3,5-dibromo-2-propoxyphenyl)methylidene]butanal
CID 79335525

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol (CID 79334570) is 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol is CCOc1c(Br)cc(Br)cc1C=C(C)CO.
What is the InChIKey of 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol?
The InChIKey is IBJSSJSURAYMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2O2/c1-3-16-12-9(4-8(2)7-15)5-10(13)6-11(12)14/h4-6,15H,3,7H2,1-2H3.
What are the key properties of 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol?
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol has a molecular weight of 350.05 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 79334570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).