1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone

C13H16O3 — CID 115785102

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H16O3/c1-9(2)16-8-13(14)10-3-4-11-6-15-7-12(11)5-10/h3-5,9H,6-8H2,1-2H3
InChIKeyAJJMFWOWBSHSPR-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.32
Rot. Bonds4

About 1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone

1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone (PubChem CID 115785102) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone
PubChem CID115785102
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H16O3/c1-9(2)16-8-13(14)10-3-4-11-6-15-7-12(11)5-10/h3-5,9H,6-8H2,1-2H3
InChIKeyAJJMFWOWBSHSPR-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone 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

1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 65180261
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one
CID 25187486
2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one
CID 83154271
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methylpent-4-en-1-one
CID 115802815
2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 75383989
1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone
CID 63021603
1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone
CID 115019757
(4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63730810
N-[2-(propan-2-ylamino)ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63743519
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63019334

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone (CID 115785102) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone?
The InChIKey is AJJMFWOWBSHSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9(2)16-8-13(14)10-3-4-11-6-15-7-12(11)5-10/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone?
1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone has a molecular weight of 220.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 115785102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).