3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid

C11H12Br2O4 — CID 107738494

IUPAC3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid
SMILESCC(C)(O)COc1c(Br)cc(C(=O)O)cc1Br
InChIInChI=1S/C11H12Br2O4/c1-11(2,16)5-17-9-7(12)3-6(10(14)15)4-8(9)13/h3-4,16H,5H2,1-2H3,(H,14,15)
InChIKeySOPIPJDMRHETJA-UHFFFAOYSA-N
MW368.02 g/mol
LogP3.06
Rot. Bonds4

About 3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid

3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid (PubChem CID 107738494) has the molecular formula C11H12Br2O4 and a molecular weight of 368.02 g/mol. Its IUPAC name is 3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid.

Molecular Properties

Compound Name3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid
PubChem CID107738494
Molecular FormulaC11H12Br2O4
Molecular Weight368.02 g/mol
Exact Mass365.91
IUPAC Name3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid
SMILESCC(C)(O)COc1c(Br)cc(C(=O)O)cc1Br
InChIInChI=1S/C11H12Br2O4/c1-11(2,16)5-17-9-7(12)3-6(10(14)15)4-8(9)13/h3-4,16H,5H2,1-2H3,(H,14,15)
InChIKeySOPIPJDMRHETJA-UHFFFAOYSA-N
XLogP3.06
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.02
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid 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-bromo-5-ethoxy-4-(2-hydroxy-2-methylpropoxy)benzoic acid
CID 60886297
3,5-dibromo-4-(4,4-dimethylpentoxy)benzoic acid
CID 114209514
1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol
CID 107741378
3,5-dibromo-4-(ethoxymethoxy)benzoic acid
CID 107738656
3,5-dibromo-4-(2-hydroxypropoxy)benzoic acid
CID 107738565
3,5-dibromo-4-(3-methylbutoxy)benzoic acid
CID 107738445
3-bromo-5-methoxy-4-(2,2,2-trifluoroethoxy)benzoic acid
CID 43622512
3,5-dibromo-4-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 103694206
3,5-dibromo-4-propan-2-yloxybenzoic acid
CID 67041563
3,5-dibromo-4-(3-ethoxy-2-hydroxypropoxy)benzoic acid
CID 107738731
3,5-dibromo-4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 107738631
3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707072

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid?
The IUPAC name of 3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid (CID 107738494) is 3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid.
What is the SMILES notation for 3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid?
The canonical SMILES for 3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid is CC(C)(O)COc1c(Br)cc(C(=O)O)cc1Br.
What is the InChIKey of 3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid?
The InChIKey is SOPIPJDMRHETJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O4/c1-11(2,16)5-17-9-7(12)3-6(10(14)15)4-8(9)13/h3-4,16H,5H2,1-2H3,(H,14,15).
What are the key properties of 3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid?
3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid has a molecular weight of 368.02 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid is sourced from PubChem (CID 107738494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).