3,5-dibromo-4-(2-hydroxypropoxy)benzoic acid

C10H10Br2O4 — CID 107738565

IUPAC3,5-dibromo-4-(2-hydroxypropoxy)benzoic acid
SMILESCC(O)COc1c(Br)cc(C(=O)O)cc1Br
InChIInChI=1S/C10H10Br2O4/c1-5(13)4-16-9-7(11)2-6(10(14)15)3-8(9)12/h2-3,5,13H,4H2,1H3,(H,14,15)
InChIKeySMXYAUVDPRIDFT-UHFFFAOYSA-N
MW353.99 g/mol
LogP2.67
Rot. Bonds4

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

3,5-dibromo-4-(2-hydroxypropoxy)benzoic acid (PubChem CID 107738565) has the molecular formula C10H10Br2O4 and a molecular weight of 353.99 g/mol. Its IUPAC name is 3,5-dibromo-4-(2-hydroxypropoxy)benzoic acid.

Molecular Properties

Compound Name3,5-dibromo-4-(2-hydroxypropoxy)benzoic acid
PubChem CID107738565
Molecular FormulaC10H10Br2O4
Molecular Weight353.99 g/mol
Exact Mass351.89
IUPAC Name3,5-dibromo-4-(2-hydroxypropoxy)benzoic acid
SMILESCC(O)COc1c(Br)cc(C(=O)O)cc1Br
InChIInChI=1S/C10H10Br2O4/c1-5(13)4-16-9-7(11)2-6(10(14)15)3-8(9)12/h2-3,5,13H,4H2,1H3,(H,14,15)
InChIKeySMXYAUVDPRIDFT-UHFFFAOYSA-N
XLogP2.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.99
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-dibromo-4-(2-hydroxypropoxy)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

3,5-dibromo-4-(3-ethoxy-2-hydroxypropoxy)benzoic acid
CID 107738731
1-(2,6-dibromo-4-methylphenoxy)propan-2-ol
CID 129065841
3,5-dibromo-4-(3-methylbutoxy)benzoic acid
CID 107738445
5-(2-hydroxypropoxy)benzene-1,3-dicarboxylic acid
CID 139699920
3,5-dibromo-4-propan-2-yloxybenzoic acid
CID 67041563
3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid
CID 107738494
4-(3-amino-2-methyl-3-oxopropoxy)-3-bromo-5-methoxybenzoic acid
CID 43622519
3,5-dibromo-4-(ethoxymethoxy)benzoic acid
CID 107738656
3,5-dibromo-4-(4,4-dimethylpentoxy)benzoic acid
CID 114209514
3-bromo-5-ethoxy-4-propan-2-yloxybenzoic acid
CID 8706851
4-(2-hydroxypropoxy)benzene-1,3-dicarboxylic acid
CID 139699918
3,5-dibromo-4-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 103694206

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(2-hydroxypropoxy)benzoic acid?
The IUPAC name of 3,5-dibromo-4-(2-hydroxypropoxy)benzoic acid (CID 107738565) is 3,5-dibromo-4-(2-hydroxypropoxy)benzoic acid.
What is the SMILES notation for 3,5-dibromo-4-(2-hydroxypropoxy)benzoic acid?
The canonical SMILES for 3,5-dibromo-4-(2-hydroxypropoxy)benzoic acid is CC(O)COc1c(Br)cc(C(=O)O)cc1Br.
What is the InChIKey of 3,5-dibromo-4-(2-hydroxypropoxy)benzoic acid?
The InChIKey is SMXYAUVDPRIDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O4/c1-5(13)4-16-9-7(11)2-6(10(14)15)3-8(9)12/h2-3,5,13H,4H2,1H3,(H,14,15).
What are the key properties of 3,5-dibromo-4-(2-hydroxypropoxy)benzoic acid?
3,5-dibromo-4-(2-hydroxypropoxy)benzoic acid has a molecular weight of 353.99 g/mol, XLogP of 2.67, 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-hydroxypropoxy)benzoic acid is sourced from PubChem (CID 107738565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).