3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one

C15H18O2 — CID 81416751

IUPAC3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1c1ccc2c(c1)COC2
InChIInChI=1S/C15H18O2/c1-3-15(2)13(7-14(15)16)10-4-5-11-8-17-9-12(11)6-10/h4-6,13H,3,7-9H2,1-2H3
InChIKeyYKHBILBILGEYMG-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.19
Rot. Bonds2

About 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one

3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one (PubChem CID 81416751) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one
PubChem CID81416751
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1c1ccc2c(c1)COC2
InChIInChI=1S/C15H18O2/c1-3-15(2)13(7-14(15)16)10-4-5-11-8-17-9-12(11)6-10/h4-6,13H,3,7-9H2,1-2H3
InChIKeyYKHBILBILGEYMG-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one 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-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one?
The IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one (CID 81416751) is 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one.
What is the SMILES notation for 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one?
The canonical SMILES for 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one is CCC1(C)C(=O)CC1c1ccc2c(c1)COC2.
What is the InChIKey of 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one?
The InChIKey is YKHBILBILGEYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-15(2)13(7-14(15)16)10-4-5-11-8-17-9-12(11)6-10/h4-6,13H,3,7-9H2,1-2H3.
What are the key properties of 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one?
3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one is sourced from PubChem (CID 81416751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).