4-bromo-2-propan-2-yloxybenzoic acid

C10H11BrO3 — CID 24824644

IUPAC4-bromo-2-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1cc(Br)ccc1C(=O)O
InChIInChI=1S/C10H11BrO3/c1-6(2)14-9-5-7(11)3-4-8(9)10(12)13/h3-6H,1-2H3,(H,12,13)
InChIKeyOGUXMLVVIGHPIN-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.93
Rot. Bonds3

About 4-bromo-2-propan-2-yloxybenzoic acid

4-bromo-2-propan-2-yloxybenzoic acid (PubChem CID 24824644) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 4-bromo-2-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name4-bromo-2-propan-2-yloxybenzoic acid
PubChem CID24824644
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name4-bromo-2-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1cc(Br)ccc1C(=O)O
InChIInChI=1S/C10H11BrO3/c1-6(2)14-9-5-7(11)3-4-8(9)10(12)13/h3-6H,1-2H3,(H,12,13)
InChIKeyOGUXMLVVIGHPIN-UHFFFAOYSA-N
XLogP2.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-propan-2-yloxybenzoic acid?
The IUPAC name of 4-bromo-2-propan-2-yloxybenzoic acid (CID 24824644) is 4-bromo-2-propan-2-yloxybenzoic acid.
What is the SMILES notation for 4-bromo-2-propan-2-yloxybenzoic acid?
The canonical SMILES for 4-bromo-2-propan-2-yloxybenzoic acid is CC(C)Oc1cc(Br)ccc1C(=O)O.
What is the InChIKey of 4-bromo-2-propan-2-yloxybenzoic acid?
The InChIKey is OGUXMLVVIGHPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-6(2)14-9-5-7(11)3-4-8(9)10(12)13/h3-6H,1-2H3,(H,12,13).
What are the key properties of 4-bromo-2-propan-2-yloxybenzoic acid?
4-bromo-2-propan-2-yloxybenzoic acid has a molecular weight of 259.10 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-propan-2-yloxybenzoic acid is sourced from PubChem (CID 24824644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).