3-propan-2-yl-2-tritio-1-benzofuran

C11H12O — CID 155790115

IUPAC3-propan-2-yl-2-tritio-1-benzofuran
SMILES[3H]c1oc2ccccc2c1C(C)C
InChIInChI=1S/C11H12O/c1-8(2)10-7-12-11-6-4-3-5-9(10)11/h3-8H,1-2H3/i7T
InChIKeyOCIGHXVYRYKMIK-HKNMUYPKSA-N
MW162.22 g/mol
LogP3.56
Rot. Bonds1

About 3-propan-2-yl-2-tritio-1-benzofuran

3-propan-2-yl-2-tritio-1-benzofuran (PubChem CID 155790115) has the molecular formula C11H12O and a molecular weight of 162.22 g/mol. Its IUPAC name is 3-propan-2-yl-2-tritio-1-benzofuran.

Molecular Properties

Compound Name3-propan-2-yl-2-tritio-1-benzofuran
PubChem CID155790115
Molecular FormulaC11H12O
Molecular Weight162.22 g/mol
Exact Mass162.10
IUPAC Name3-propan-2-yl-2-tritio-1-benzofuran
SMILES[3H]c1oc2ccccc2c1C(C)C
InChIInChI=1S/C11H12O/c1-8(2)10-7-12-11-6-4-3-5-9(10)11/h3-8H,1-2H3/i7T
InChIKeyOCIGHXVYRYKMIK-HKNMUYPKSA-N
XLogP3.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-propan-2-yl-2-tritio-1-benzofuran 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 3-propan-2-yl-2-tritio-1-benzofuran?
The IUPAC name of 3-propan-2-yl-2-tritio-1-benzofuran (CID 155790115) is 3-propan-2-yl-2-tritio-1-benzofuran.
What is the SMILES notation for 3-propan-2-yl-2-tritio-1-benzofuran?
The canonical SMILES for 3-propan-2-yl-2-tritio-1-benzofuran is [3H]c1oc2ccccc2c1C(C)C.
What is the InChIKey of 3-propan-2-yl-2-tritio-1-benzofuran?
The InChIKey is OCIGHXVYRYKMIK-HKNMUYPKSA-N. The full InChI is InChI=1S/C11H12O/c1-8(2)10-7-12-11-6-4-3-5-9(10)11/h3-8H,1-2H3/i7T.
What are the key properties of 3-propan-2-yl-2-tritio-1-benzofuran?
3-propan-2-yl-2-tritio-1-benzofuran has a molecular weight of 162.22 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-tritio-1-benzofuran is sourced from PubChem (CID 155790115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).