1-benzofuran-2-ylmethyl 2-ethylbutanoate

C15H18O3 — CID 86918284

IUPAC1-benzofuran-2-ylmethyl 2-ethylbutanoate
SMILESCCC(CC)C(=O)OCc1cc2ccccc2o1
InChIInChI=1S/C15H18O3/c1-3-11(4-2)15(16)17-10-13-9-12-7-5-6-8-14(12)18-13/h5-9,11H,3-4,10H2,1-2H3
InChIKeyMUBULEGYZPVCLQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.91
Rot. Bonds5

About 1-benzofuran-2-ylmethyl 2-ethylbutanoate

1-benzofuran-2-ylmethyl 2-ethylbutanoate (PubChem CID 86918284) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-benzofuran-2-ylmethyl 2-ethylbutanoate.

Molecular Properties

Compound Name1-benzofuran-2-ylmethyl 2-ethylbutanoate
PubChem CID86918284
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name1-benzofuran-2-ylmethyl 2-ethylbutanoate
SMILESCCC(CC)C(=O)OCc1cc2ccccc2o1
InChIInChI=1S/C15H18O3/c1-3-11(4-2)15(16)17-10-13-9-12-7-5-6-8-14(12)18-13/h5-9,11H,3-4,10H2,1-2H3
InChIKeyMUBULEGYZPVCLQ-UHFFFAOYSA-N
XLogP3.91
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-ylmethyl 4-acetylbenzoate
CID 86933494
1-benzofuran-2-ylmethyl 2-pentoxyacetate
CID 86871484
2-(1-benzofuran-2-ylmethoxymethyl)-1-benzofuran
CID 151118650
1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate
CID 134026431
1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate
CID 34155031
1-benzofuran-2-ylmethyl formate
CID 18617223
1-benzofuran-2-ylmethyl imidazole-1-carboxylate
CID 142027707
1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate
CID 27148547
2-(1-benzofuran-2-ylmethylamino)propanamide
CID 43402391
2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid
CID 65063124
ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate
CID 53397244
1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid
CID 86095928

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-ylmethyl 2-ethylbutanoate?
The IUPAC name of 1-benzofuran-2-ylmethyl 2-ethylbutanoate (CID 86918284) is 1-benzofuran-2-ylmethyl 2-ethylbutanoate.
What is the SMILES notation for 1-benzofuran-2-ylmethyl 2-ethylbutanoate?
The canonical SMILES for 1-benzofuran-2-ylmethyl 2-ethylbutanoate is CCC(CC)C(=O)OCc1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-ylmethyl 2-ethylbutanoate?
The InChIKey is MUBULEGYZPVCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-3-11(4-2)15(16)17-10-13-9-12-7-5-6-8-14(12)18-13/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of 1-benzofuran-2-ylmethyl 2-ethylbutanoate?
1-benzofuran-2-ylmethyl 2-ethylbutanoate has a molecular weight of 246.31 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-ylmethyl 2-ethylbutanoate is sourced from PubChem (CID 86918284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).