1-benzofuran-2,5-dicarbaldehyde

C10H6O3 — CID 18349269

IUPAC1-benzofuran-2,5-dicarbaldehyde
SMILESO=Cc1ccc2oc(C=O)cc2c1
InChIInChI=1S/C10H6O3/c11-5-7-1-2-10-8(3-7)4-9(6-12)13-10/h1-6H
InChIKeyCWHUCBQOJWVGEF-UHFFFAOYSA-N
MW174.15 g/mol
LogP2.06
Rot. Bonds2

About 1-benzofuran-2,5-dicarbaldehyde

1-benzofuran-2,5-dicarbaldehyde (PubChem CID 18349269) has the molecular formula C10H6O3 and a molecular weight of 174.15 g/mol. Its IUPAC name is 1-benzofuran-2,5-dicarbaldehyde.

Molecular Properties

Compound Name1-benzofuran-2,5-dicarbaldehyde
PubChem CID18349269
Molecular FormulaC10H6O3
Molecular Weight174.15 g/mol
Exact Mass174.03
IUPAC Name1-benzofuran-2,5-dicarbaldehyde
SMILESO=Cc1ccc2oc(C=O)cc2c1
InChIInChI=1S/C10H6O3/c11-5-7-1-2-10-8(3-7)4-9(6-12)13-10/h1-6H
InChIKeyCWHUCBQOJWVGEF-UHFFFAOYSA-N
XLogP2.06
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 52.06
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

5-fluoro-1-benzofuran-2-carbaldehyde
CID 10844747
3-methyl-2-oxochromene-6-carbaldehyde
CID 13429635
2-propyl-1-benzofuran-5-carbaldehyde
CID 139928925
5-ethoxy-1-benzofuran-2-carbaldehyde
CID 10559567
1-benzofuran-2-carbaldehyde;methanamine
CID 143075109
naphthalene-2,6-dicarbaldehyde
CID 159038637
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-carbaldehyde
CID 167734414
2-(3,4,5-trihydroxybenzoyl)-1-benzofuran-5-carbaldehyde
CID 171662158
5-[3-fluoro-5-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde
CID 122476549
2-amino-1,3-benzoxazole-5-carbaldehyde
CID 75488501
2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde
CID 15310183
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-carbaldehyde
CID 10758885

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2,5-dicarbaldehyde?
The IUPAC name of 1-benzofuran-2,5-dicarbaldehyde (CID 18349269) is 1-benzofuran-2,5-dicarbaldehyde.
What is the SMILES notation for 1-benzofuran-2,5-dicarbaldehyde?
The canonical SMILES for 1-benzofuran-2,5-dicarbaldehyde is O=Cc1ccc2oc(C=O)cc2c1.
What is the InChIKey of 1-benzofuran-2,5-dicarbaldehyde?
The InChIKey is CWHUCBQOJWVGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O3/c11-5-7-1-2-10-8(3-7)4-9(6-12)13-10/h1-6H.
What are the key properties of 1-benzofuran-2,5-dicarbaldehyde?
1-benzofuran-2,5-dicarbaldehyde has a molecular weight of 174.15 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2,5-dicarbaldehyde is sourced from PubChem (CID 18349269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).