benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

C18H16O4 — CID 8961126

IUPACbenzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCc3ccccc3)coc2c1
InChIInChI=1S/C18H16O4/c1-20-15-7-8-16-14(12-21-17(16)10-15)9-18(19)22-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3
InChIKeyQNURFCRTZCSJCZ-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.73
Rot. Bonds5

About benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 8961126) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID8961126
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Namebenzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCc3ccccc3)coc2c1
InChIInChI=1S/C18H16O4/c1-20-15-7-8-16-14(12-21-17(16)10-15)9-18(19)22-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3
InChIKeyQNURFCRTZCSJCZ-UHFFFAOYSA-N
XLogP3.73
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyanophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901957
ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate
CID 91423659
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 32971967
(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902091
(1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4529583
(4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415600
[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7488750
methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate
CID 24626688
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901935
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538621

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 8961126) is benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCc3ccccc3)coc2c1.
What is the InChIKey of benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is QNURFCRTZCSJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-20-15-7-8-16-14(12-21-17(16)10-15)9-18(19)22-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3.
What are the key properties of benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 296.32 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8961126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).