3,5-dibromo-4-propan-2-yloxybenzoic acid

C10H10Br2O3 — CID 67041563

IUPAC3,5-dibromo-4-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1c(Br)cc(C(=O)O)cc1Br
InChIInChI=1S/C10H10Br2O3/c1-5(2)15-9-7(11)3-6(10(13)14)4-8(9)12/h3-5H,1-2H3,(H,13,14)
InChIKeyJXBXPZOSSBPFEB-UHFFFAOYSA-N
MW338.00 g/mol
LogP3.70
Rot. Bonds3

About 3,5-dibromo-4-propan-2-yloxybenzoic acid

3,5-dibromo-4-propan-2-yloxybenzoic acid (PubChem CID 67041563) has the molecular formula C10H10Br2O3 and a molecular weight of 338.00 g/mol. Its IUPAC name is 3,5-dibromo-4-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name3,5-dibromo-4-propan-2-yloxybenzoic acid
PubChem CID67041563
Molecular FormulaC10H10Br2O3
Molecular Weight338.00 g/mol
Exact Mass335.90
IUPAC Name3,5-dibromo-4-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1c(Br)cc(C(=O)O)cc1Br
InChIInChI=1S/C10H10Br2O3/c1-5(2)15-9-7(11)3-6(10(13)14)4-8(9)12/h3-5H,1-2H3,(H,13,14)
InChIKeyJXBXPZOSSBPFEB-UHFFFAOYSA-N
XLogP3.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dibromo-4-propan-2-yloxybenzoic 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-propan-2-yloxybenzoic acid
CID 8706851
3,5-ditert-butyl-4-propan-2-yloxybenzoic acid
CID 82552893
3,5-dibromo-4-(2-hydroxypropoxy)benzoic acid
CID 107738565
3,5-dibromo-4-[1-oxo-1-(propylamino)propan-2-yl]oxybenzoic acid
CID 107738460
3,5-dibromo-4-(3-methylbutoxy)benzoic acid
CID 107738445
3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid
CID 107738494
3,5-dibromo-4-(ethoxymethoxy)benzoic acid
CID 107738656
4-butan-2-yloxy-3,5-difluorobenzoic acid
CID 63183576
3,5-dibromo-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 107738711
3-bromo-5-ethoxy-4-[1-(ethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43627113
(E)-3-(3,5-dibromo-2-propan-2-yloxyphenyl)prop-2-enoic acid
CID 19619468
3,5-dibromo-4-(4,4-dimethylpentoxy)benzoic acid
CID 114209514

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-propan-2-yloxybenzoic acid?
The IUPAC name of 3,5-dibromo-4-propan-2-yloxybenzoic acid (CID 67041563) is 3,5-dibromo-4-propan-2-yloxybenzoic acid.
What is the SMILES notation for 3,5-dibromo-4-propan-2-yloxybenzoic acid?
The canonical SMILES for 3,5-dibromo-4-propan-2-yloxybenzoic acid is CC(C)Oc1c(Br)cc(C(=O)O)cc1Br.
What is the InChIKey of 3,5-dibromo-4-propan-2-yloxybenzoic acid?
The InChIKey is JXBXPZOSSBPFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O3/c1-5(2)15-9-7(11)3-6(10(13)14)4-8(9)12/h3-5H,1-2H3,(H,13,14).
What are the key properties of 3,5-dibromo-4-propan-2-yloxybenzoic acid?
3,5-dibromo-4-propan-2-yloxybenzoic acid has a molecular weight of 338.00 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-propan-2-yloxybenzoic acid is sourced from PubChem (CID 67041563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).