1-benzofuran-2-ylmethyl 4-acetylbenzoate

C18H14O4 — CID 86933494

IUPAC1-benzofuran-2-ylmethyl 4-acetylbenzoate
SMILESCC(=O)c1ccc(C(=O)OCc2cc3ccccc3o2)cc1
InChIInChI=1S/C18H14O4/c1-12(19)13-6-8-14(9-7-13)18(20)21-11-16-10-15-4-2-3-5-17(15)22-16/h2-10H,11H2,1H3
InChIKeySTULMZINPLVXFN-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.99
Rot. Bonds4

About 1-benzofuran-2-ylmethyl 4-acetylbenzoate

1-benzofuran-2-ylmethyl 4-acetylbenzoate (PubChem CID 86933494) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-benzofuran-2-ylmethyl 4-acetylbenzoate.

Molecular Properties

Compound Name1-benzofuran-2-ylmethyl 4-acetylbenzoate
PubChem CID86933494
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name1-benzofuran-2-ylmethyl 4-acetylbenzoate
SMILESCC(=O)c1ccc(C(=O)OCc2cc3ccccc3o2)cc1
InChIInChI=1S/C18H14O4/c1-12(19)13-6-8-14(9-7-13)18(20)21-11-16-10-15-4-2-3-5-17(15)22-16/h2-10H,11H2,1H3
InChIKeySTULMZINPLVXFN-UHFFFAOYSA-N
XLogP3.99
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate
CID 34155031
2-(1-benzofuran-2-yl)ethyl 4-tert-butylbenzoate
CID 23992796
1-benzofuran-2-ylmethyl 2-ethylbutanoate
CID 86918284
benzyl 4-acetylbenzoate
CID 590101
2-(1-benzofuran-2-ylmethoxymethyl)-1-benzofuran
CID 151118650
[6-(benzoyloxymethyl)-4-oxopyran-2-yl]methyl 4-methylbenzoate
CID 176655522
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 7972415
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-benzofuran-2-ylmethyl 2-pentoxyacetate
CID 86871484
1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate
CID 134026431
1-benzofuran-2-ylmethyl formate
CID 18617223

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-ylmethyl 4-acetylbenzoate?
The IUPAC name of 1-benzofuran-2-ylmethyl 4-acetylbenzoate (CID 86933494) is 1-benzofuran-2-ylmethyl 4-acetylbenzoate.
What is the SMILES notation for 1-benzofuran-2-ylmethyl 4-acetylbenzoate?
The canonical SMILES for 1-benzofuran-2-ylmethyl 4-acetylbenzoate is CC(=O)c1ccc(C(=O)OCc2cc3ccccc3o2)cc1.
What is the InChIKey of 1-benzofuran-2-ylmethyl 4-acetylbenzoate?
The InChIKey is STULMZINPLVXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-12(19)13-6-8-14(9-7-13)18(20)21-11-16-10-15-4-2-3-5-17(15)22-16/h2-10H,11H2,1H3.
What are the key properties of 1-benzofuran-2-ylmethyl 4-acetylbenzoate?
1-benzofuran-2-ylmethyl 4-acetylbenzoate has a molecular weight of 294.31 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-ylmethyl 4-acetylbenzoate is sourced from PubChem (CID 86933494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).