5,6-dimethyl-2-propan-2-yl-1-benzofuran

C13H16O — CID 174243739

IUPAC5,6-dimethyl-2-propan-2-yl-1-benzofuran
SMILESCc1cc2cc(C(C)C)oc2cc1C
InChIInChI=1S/C13H16O/c1-8(2)12-7-11-5-9(3)10(4)6-13(11)14-12/h5-8H,1-4H3
InChIKeyGWRNUDFKRKPYBI-UHFFFAOYSA-N
MW188.27 g/mol
LogP4.17
Rot. Bonds1

About 5,6-dimethyl-2-propan-2-yl-1-benzofuran

5,6-dimethyl-2-propan-2-yl-1-benzofuran (PubChem CID 174243739) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 5,6-dimethyl-2-propan-2-yl-1-benzofuran.

Molecular Properties

Compound Name5,6-dimethyl-2-propan-2-yl-1-benzofuran
PubChem CID174243739
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name5,6-dimethyl-2-propan-2-yl-1-benzofuran
SMILESCc1cc2cc(C(C)C)oc2cc1C
InChIInChI=1S/C13H16O/c1-8(2)12-7-11-5-9(3)10(4)6-13(11)14-12/h5-8H,1-4H3
InChIKeyGWRNUDFKRKPYBI-UHFFFAOYSA-N
XLogP4.17
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,6-dimethyl-2-propan-2-yl-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

Related Compounds

6-propan-2-ylfuro[2,3-f][1,3]benzodioxole
CID 146176687
6-ethyl-2-propan-2-ylfuro[3,2-f][1]benzofuran
CID 70831990
6-ethenyl-2-propan-2-ylfuro[2,3-f][1]benzofuran
CID 90849236
2-propan-2-yl-1-benzofuran-5-amine
CID 144729089
2,5-di(propan-2-yl)-1-benzofuran
CID 59835786
N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 115677897
2-propan-2-ylfuro[3,2-c]pyridine
CID 20602980
3-[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]butan-1-ol
CID 111778112
methyl 5,6-dimethyl-1-benzofuran-2-carboxylate
CID 23271204
N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide
CID 111470191
3-methyl-6-propan-2-ylchromen-2-one
CID 54590794
3-[(5,6-dimethyl-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropanoic acid
CID 122046908

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-propan-2-yl-1-benzofuran?
The IUPAC name of 5,6-dimethyl-2-propan-2-yl-1-benzofuran (CID 174243739) is 5,6-dimethyl-2-propan-2-yl-1-benzofuran.
What is the SMILES notation for 5,6-dimethyl-2-propan-2-yl-1-benzofuran?
The canonical SMILES for 5,6-dimethyl-2-propan-2-yl-1-benzofuran is Cc1cc2cc(C(C)C)oc2cc1C.
What is the InChIKey of 5,6-dimethyl-2-propan-2-yl-1-benzofuran?
The InChIKey is GWRNUDFKRKPYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-8(2)12-7-11-5-9(3)10(4)6-13(11)14-12/h5-8H,1-4H3.
What are the key properties of 5,6-dimethyl-2-propan-2-yl-1-benzofuran?
5,6-dimethyl-2-propan-2-yl-1-benzofuran has a molecular weight of 188.27 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-propan-2-yl-1-benzofuran is sourced from PubChem (CID 174243739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).