1-benzofuran-2-ylmethyl formate

C10H8O3 — CID 18617223

IUPAC1-benzofuran-2-ylmethyl formate
SMILESO=COCc1cc2ccccc2o1
InChIInChI=1S/C10H8O3/c11-7-12-6-9-5-8-3-1-2-4-10(8)13-9/h1-5,7H,6H2
InChIKeyFVSHEUHZHKVPHG-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.11
Rot. Bonds3

About 1-benzofuran-2-ylmethyl formate

1-benzofuran-2-ylmethyl formate (PubChem CID 18617223) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-benzofuran-2-ylmethyl formate.

Molecular Properties

Compound Name1-benzofuran-2-ylmethyl formate
PubChem CID18617223
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name1-benzofuran-2-ylmethyl formate
SMILESO=COCc1cc2ccccc2o1
InChIInChI=1S/C10H8O3/c11-7-12-6-9-5-8-3-1-2-4-10(8)13-9/h1-5,7H,6H2
InChIKeyFVSHEUHZHKVPHG-UHFFFAOYSA-N
XLogP2.11
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzofuran-2-ylmethoxymethyl)-1-benzofuran
CID 151118650
N-(1-benzofuran-2-ylmethoxy)methanimine
CID 174418937
CID 156725408
CID 156725408
1-benzofuran-2-ylmethyl 2-ethylbutanoate
CID 86918284
1-benzofuran-2-ylmethoxy-tert-butyl-dimethylsilane
CID 135029239
1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate
CID 134026431
1-benzofuran-2-ylmethyl 4-acetylbenzoate
CID 86933494
1-benzofuran-2-ylmethoxysulfanylmethyl-deuterio-tritioborane
CID 161037358
4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde
CID 82374154
1-benzofuran-2-ylmethyl 2-pentoxyacetate
CID 86871484
1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate
CID 27148547
1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate
CID 34155031

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-ylmethyl formate?
The IUPAC name of 1-benzofuran-2-ylmethyl formate (CID 18617223) is 1-benzofuran-2-ylmethyl formate.
What is the SMILES notation for 1-benzofuran-2-ylmethyl formate?
The canonical SMILES for 1-benzofuran-2-ylmethyl formate is O=COCc1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-ylmethyl formate?
The InChIKey is FVSHEUHZHKVPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c11-7-12-6-9-5-8-3-1-2-4-10(8)13-9/h1-5,7H,6H2.
What are the key properties of 1-benzofuran-2-ylmethyl formate?
1-benzofuran-2-ylmethyl formate has a molecular weight of 176.17 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-ylmethyl formate is sourced from PubChem (CID 18617223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).