2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde

C13H10O2 — CID 144768178

IUPAC2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde
SMILESC=Cc1oc2cc(C=O)ccc2c1C=C
InChIInChI=1S/C13H10O2/c1-3-10-11-6-5-9(8-14)7-13(11)15-12(10)4-2/h3-8H,1-2H2
InChIKeyFSCZHXNJPPFKED-UHFFFAOYSA-N
MW198.22 g/mol
LogP3.53
Rot. Bonds3

About 2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde

2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde (PubChem CID 144768178) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde
PubChem CID144768178
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde
SMILESC=Cc1oc2cc(C=O)ccc2c1C=C
InChIInChI=1S/C13H10O2/c1-3-10-11-6-5-9(8-14)7-13(11)15-12(10)4-2/h3-8H,1-2H2
InChIKeyFSCZHXNJPPFKED-UHFFFAOYSA-N
XLogP3.53
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(ethenyl)-6-ethyl-1-benzofuran;ethane
CID 142061376
7-bromodibenzofuran-3-carbaldehyde
CID 59412938
2-oxochromene-4,7-dicarbaldehyde
CID 90255777
3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde
CID 71378043
8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde
CID 14104558
2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran
CID 145452303
1-(2-ethenylbenzo[f][1]benzofuran-3-yl)-N-methylmethanimine
CID 170257473
8-bromodibenzofuran-2-carbaldehyde
CID 23559412
4-ethenyl-3-fluorobenzaldehyde
CID 88903267
3-tert-butyl-1,2-benzoxazole-6-carbaldehyde
CID 105455201
2,3-bis(ethenyl)-5,7-dimethyl-1-benzofuran
CID 123553772
2-bromo-1,3-benzoxazole-6-carbaldehyde
CID 119010083

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde?
The IUPAC name of 2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde (CID 144768178) is 2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde.
What is the SMILES notation for 2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde?
The canonical SMILES for 2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde is C=Cc1oc2cc(C=O)ccc2c1C=C.
What is the InChIKey of 2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde?
The InChIKey is FSCZHXNJPPFKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c1-3-10-11-6-5-9(8-14)7-13(11)15-12(10)4-2/h3-8H,1-2H2.
What are the key properties of 2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde?
2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde has a molecular weight of 198.22 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde is sourced from PubChem (CID 144768178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).