methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate

C14H16O4 — CID 116986293

IUPACmethyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
SMILESCOC(=O)CCc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C14H16O4/c1-16-13(15)3-2-11-10-5-7-17-12(10)8-9-4-6-18-14(9)11/h8H,2-7H2,1H3
InChIKeyFTRDULMWWCGBDO-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.66
Rot. Bonds3

About methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate

methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate (PubChem CID 116986293) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
PubChem CID116986293
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Namemethyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
SMILESCOC(=O)CCc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C14H16O4/c1-16-13(15)3-2-11-10-5-7-17-12(10)8-9-4-6-18-14(9)11/h8H,2-7H2,1H3
InChIKeyFTRDULMWWCGBDO-UHFFFAOYSA-N
XLogP1.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid
CID 115010687
2,2-dimethyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
CID 113095519
methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
CID 116986532
methyl 2-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)acetate
CID 116986424
N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide
CID 113096330
ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate
CID 113095323
4-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
CID 113095281
3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113096077
N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199444
2,2,2-trifluoro-N-[(2S)-1-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-2-yl]acetamide
CID 10639049
2,2,2-trifluoro-N-[(2R)-1-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-2-yl]acetamide
CID 10543332
N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzamide
CID 113096026

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate?
The IUPAC name of methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate (CID 116986293) is methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate.
What is the SMILES notation for methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate?
The canonical SMILES for methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate is COC(=O)CCc1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate?
The InChIKey is FTRDULMWWCGBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-16-13(15)3-2-11-10-5-7-17-12(10)8-9-4-6-18-14(9)11/h8H,2-7H2,1H3.
What are the key properties of methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate?
methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate has a molecular weight of 248.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate is sourced from PubChem (CID 116986293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).