5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one

C14H16O4 — CID 103439709

IUPAC5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one
SMILESCOc1cc2c(cc1C1CCC(=O)O1)OC(C)C2
InChIInChI=1S/C14H16O4/c1-8-5-9-6-13(16-2)10(7-12(9)17-8)11-3-4-14(15)18-11/h6-8,11H,3-5H2,1-2H3
InChIKeySWDVSZJCBVPLEX-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.40
Rot. Bonds2

About 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one

5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one (PubChem CID 103439709) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one.

Molecular Properties

Compound Name5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one
PubChem CID103439709
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one
SMILESCOc1cc2c(cc1C1CCC(=O)O1)OC(C)C2
InChIInChI=1S/C14H16O4/c1-8-5-9-6-13(16-2)10(7-12(9)17-8)11-3-4-14(15)18-11/h6-8,11H,3-5H2,1-2H3
InChIKeySWDVSZJCBVPLEX-UHFFFAOYSA-N
XLogP2.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-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

1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone
CID 113291875
5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 113291957
1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine
CID 115350069
(5S)-5-(2-methoxyphenyl)oxolan-2-one
CID 10750262
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473
ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one
CID 163229025
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid
CID 115349879
1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 83882744
5-(4-methoxynaphthalen-1-yl)oxolan-2-one
CID 103439901
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 3951670
cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 115350010
5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione
CID 16783888

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one?
The IUPAC name of 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one (CID 103439709) is 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one.
What is the SMILES notation for 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one?
The canonical SMILES for 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one is COc1cc2c(cc1C1CCC(=O)O1)OC(C)C2.
What is the InChIKey of 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one?
The InChIKey is SWDVSZJCBVPLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-8-5-9-6-13(16-2)10(7-12(9)17-8)11-3-4-14(15)18-11/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one?
5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one has a molecular weight of 248.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one is sourced from PubChem (CID 103439709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).