5-bromo-2,3,7,7a-tetrahydro-1H-inden-1-ol

C9H11BrO — CID 143346047

IUPAC5-bromo-2,3,7,7a-tetrahydro-1H-inden-1-ol
SMILESOC1CCC2=CC(Br)=CCC21
InChIInChI=1S/C9H11BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2,5,8-9,11H,1,3-4H2
InChIKeyHFWHJXOBRSTXRY-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.37
Rot. Bonds

About 5-bromo-2,3,7,7a-tetrahydro-1H-inden-1-ol

5-bromo-2,3,7,7a-tetrahydro-1H-inden-1-ol (PubChem CID 143346047) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 5-bromo-2,3,7,7a-tetrahydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-bromo-2,3,7,7a-tetrahydro-1H-inden-1-ol
PubChem CID143346047
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name5-bromo-2,3,7,7a-tetrahydro-1H-inden-1-ol
SMILESOC1CCC2=CC(Br)=CCC21
InChIInChI=1S/C9H11BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2,5,8-9,11H,1,3-4H2
InChIKeyHFWHJXOBRSTXRY-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-2,3,7,7a-tetrahydro-1H-inden-1-ol 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 5-bromo-2,3,7,7a-tetrahydro-1H-inden-1-ol?
The IUPAC name of 5-bromo-2,3,7,7a-tetrahydro-1H-inden-1-ol (CID 143346047) is 5-bromo-2,3,7,7a-tetrahydro-1H-inden-1-ol.
What is the SMILES notation for 5-bromo-2,3,7,7a-tetrahydro-1H-inden-1-ol?
The canonical SMILES for 5-bromo-2,3,7,7a-tetrahydro-1H-inden-1-ol is OC1CCC2=CC(Br)=CCC21.
What is the InChIKey of 5-bromo-2,3,7,7a-tetrahydro-1H-inden-1-ol?
The InChIKey is HFWHJXOBRSTXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2,5,8-9,11H,1,3-4H2.
What are the key properties of 5-bromo-2,3,7,7a-tetrahydro-1H-inden-1-ol?
5-bromo-2,3,7,7a-tetrahydro-1H-inden-1-ol has a molecular weight of 215.09 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3,7,7a-tetrahydro-1H-inden-1-ol is sourced from PubChem (CID 143346047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).