5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one

C14H16O3 — CID 103439665

IUPAC5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one
SMILESCC1(C)Cc2cccc(C3CCC(=O)O3)c2O1
InChIInChI=1S/C14H16O3/c1-14(2)8-9-4-3-5-10(13(9)17-14)11-6-7-12(15)16-11/h3-5,11H,6-8H2,1-2H3
InChIKeyYUSMHALKFLMQQF-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.78
Rot. Bonds1

About 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one

5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one (PubChem CID 103439665) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one.

Molecular Properties

Compound Name5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one
PubChem CID103439665
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one
SMILESCC1(C)Cc2cccc(C3CCC(=O)O3)c2O1
InChIInChI=1S/C14H16O3/c1-14(2)8-9-4-3-5-10(13(9)17-14)11-6-7-12(15)16-11/h3-5,11H,6-8H2,1-2H3
InChIKeyYUSMHALKFLMQQF-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one 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

4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one
CID 114239576
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine
CID 64686696
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine
CID 65126843
4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one
CID 64507923
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione
CID 146573714
5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one
CID 113441329
(5S)-5-(2-methoxyphenyl)oxolan-2-one
CID 10750262
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine
CID 66228757
[5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117405541
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxane-3-carbonitrile
CID 64509043
[1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol
CID 64510953
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine
CID 79320927

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one?
The IUPAC name of 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one (CID 103439665) is 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one.
What is the SMILES notation for 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one?
The canonical SMILES for 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one is CC1(C)Cc2cccc(C3CCC(=O)O3)c2O1.
What is the InChIKey of 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one?
The InChIKey is YUSMHALKFLMQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-14(2)8-9-4-3-5-10(13(9)17-14)11-6-7-12(15)16-11/h3-5,11H,6-8H2,1-2H3.
What are the key properties of 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one?
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one has a molecular weight of 232.28 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one is sourced from PubChem (CID 103439665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).