7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran

C15H20O — CID 177208791

IUPAC7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCC(C)C1CC1Cc1cccc2c1OCC2
InChIInChI=1S/C15H20O/c1-10(2)14-9-13(14)8-12-5-3-4-11-6-7-16-15(11)12/h3-5,10,13-14H,6-9H2,1-2H3
InChIKeyQEPZBWGHEYEACA-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.46
Rot. Bonds3

About 7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran

7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 177208791) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID177208791
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCC(C)C1CC1Cc1cccc2c1OCC2
InChIInChI=1S/C15H20O/c1-10(2)14-9-13(14)8-12-5-3-4-11-6-7-16-15(11)12/h3-5,10,13-14H,6-9H2,1-2H3
InChIKeyQEPZBWGHEYEACA-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-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

(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
CID 131577312
3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal
CID 114746856
7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran
CID 114747068
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
CID 114746763
7-[2-(2-methylpropyl)cyclopropyl]-2,3-dihydro-1-benzofuran
CID 177208812
8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
7-(3-chloro-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran
CID 114747050
3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine
CID 114746889
3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine
CID 170866001
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide
CID 83878008

Frequently Asked Questions

What is the IUPAC name of 7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran (CID 177208791) is 7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran is CC(C)C1CC1Cc1cccc2c1OCC2.
What is the InChIKey of 7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is QEPZBWGHEYEACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-10(2)14-9-13(14)8-12-5-3-4-11-6-7-16-15(11)12/h3-5,10,13-14H,6-9H2,1-2H3.
What are the key properties of 7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran?
7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 216.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 177208791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).