2-bromo-3-propan-2-ylphenol

C9H11BrO — CID 23114133

IUPAC2-bromo-3-propan-2-ylphenol
SMILESCC(C)c1cccc(O)c1Br
InChIInChI=1S/C9H11BrO/c1-6(2)7-4-3-5-8(11)9(7)10/h3-6,11H,1-2H3
InChIKeyGXWOGRSNNHEHBS-UHFFFAOYSA-N
MW215.09 g/mol
LogP3.28
Rot. Bonds1

About 2-bromo-3-propan-2-ylphenol

2-bromo-3-propan-2-ylphenol (PubChem CID 23114133) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 2-bromo-3-propan-2-ylphenol.

Molecular Properties

Compound Name2-bromo-3-propan-2-ylphenol
PubChem CID23114133
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name2-bromo-3-propan-2-ylphenol
SMILESCC(C)c1cccc(O)c1Br
InChIInChI=1S/C9H11BrO/c1-6(2)7-4-3-5-8(11)9(7)10/h3-6,11H,1-2H3
InChIKeyGXWOGRSNNHEHBS-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-3-propan-2-ylphenol 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 2-bromo-3-propan-2-ylphenol?
The IUPAC name of 2-bromo-3-propan-2-ylphenol (CID 23114133) is 2-bromo-3-propan-2-ylphenol.
What is the SMILES notation for 2-bromo-3-propan-2-ylphenol?
The canonical SMILES for 2-bromo-3-propan-2-ylphenol is CC(C)c1cccc(O)c1Br.
What is the InChIKey of 2-bromo-3-propan-2-ylphenol?
The InChIKey is GXWOGRSNNHEHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-6(2)7-4-3-5-8(11)9(7)10/h3-6,11H,1-2H3.
What are the key properties of 2-bromo-3-propan-2-ylphenol?
2-bromo-3-propan-2-ylphenol has a molecular weight of 215.09 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-propan-2-ylphenol is sourced from PubChem (CID 23114133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).