1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one

C14H16O4 — CID 117373298

IUPAC1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one
SMILESCOc1c2c(c(CC(C)=O)c3c1OCC3)OCC2
InChIInChI=1S/C14H16O4/c1-8(15)7-11-9-3-5-18-14(9)13(16-2)10-4-6-17-12(10)11/h3-7H2,1-2H3
InChIKeyYQKXZUGMUXHTDA-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.70
Rot. Bonds3

About 1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one

1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one (PubChem CID 117373298) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one
PubChem CID117373298
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one
SMILESCOc1c2c(c(CC(C)=O)c3c1OCC3)OCC2
InChIInChI=1S/C14H16O4/c1-8(15)7-11-9-3-5-18-14(9)13(16-2)10-4-6-17-12(10)11/h3-7H2,1-2H3
InChIKeyYQKXZUGMUXHTDA-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one with MolForge

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Related Compounds

1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one
CID 117442560
8-(isocyanatomethyl)-4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
CID 117369779
O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine
CID 117380937
(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol
CID 117378871
ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate
CID 117471886
2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine
CID 117412713
1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83903503
2-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetic acid
CID 117344271
methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
CID 116986532
5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid
CID 117490608
2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid
CID 117474709
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one
CID 117284369

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one?
The IUPAC name of 1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one (CID 117373298) is 1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one.
What is the SMILES notation for 1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one?
The canonical SMILES for 1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one is COc1c2c(c(CC(C)=O)c3c1OCC3)OCC2.
What is the InChIKey of 1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one?
The InChIKey is YQKXZUGMUXHTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-8(15)7-11-9-3-5-18-14(9)13(16-2)10-4-6-17-12(10)11/h3-7H2,1-2H3.
What are the key properties of 1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one?
1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one has a molecular weight of 248.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one is sourced from PubChem (CID 117373298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).