1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate

C18H16O4 — CID 34155031

IUPAC1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)OCc2cc3ccccc3o2)cc1
InChIInChI=1S/C18H16O4/c1-20-11-13-6-8-14(9-7-13)18(19)21-12-16-10-15-4-2-3-5-17(15)22-16/h2-10H,11-12H2,1H3
InChIKeyDNOUYBZDQXEOMC-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.94
Rot. Bonds5

About 1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate

1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate (PubChem CID 34155031) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate.

Molecular Properties

Compound Name1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate
PubChem CID34155031
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)OCc2cc3ccccc3o2)cc1
InChIInChI=1S/C18H16O4/c1-20-11-13-6-8-14(9-7-13)18(19)21-12-16-10-15-4-2-3-5-17(15)22-16/h2-10H,11-12H2,1H3
InChIKeyDNOUYBZDQXEOMC-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate?
The IUPAC name of 1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate (CID 34155031) is 1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate.
What is the SMILES notation for 1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate?
The canonical SMILES for 1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate is COCc1ccc(C(=O)OCc2cc3ccccc3o2)cc1.
What is the InChIKey of 1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate?
The InChIKey is DNOUYBZDQXEOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-20-11-13-6-8-14(9-7-13)18(19)21-12-16-10-15-4-2-3-5-17(15)22-16/h2-10H,11-12H2,1H3.
What are the key properties of 1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate?
1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate has a molecular weight of 296.32 g/mol, XLogP of 3.94, 5 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-(methoxymethyl)benzoate is sourced from PubChem (CID 34155031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).