2-benzylidene-3H-1-benzofuran-3-carbaldehyde

C16H12O2 — CID 174224759

IUPAC2-benzylidene-3H-1-benzofuran-3-carbaldehyde
SMILESO=CC1C(=Cc2ccccc2)Oc2ccccc21
InChIInChI=1S/C16H12O2/c17-11-14-13-8-4-5-9-15(13)18-16(14)10-12-6-2-1-3-7-12/h1-11,14H
InChIKeyUVUBIORLFWFJIQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.40
Rot. Bonds2

About 2-benzylidene-3H-1-benzofuran-3-carbaldehyde

2-benzylidene-3H-1-benzofuran-3-carbaldehyde (PubChem CID 174224759) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-benzylidene-3H-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name2-benzylidene-3H-1-benzofuran-3-carbaldehyde
PubChem CID174224759
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name2-benzylidene-3H-1-benzofuran-3-carbaldehyde
SMILESO=CC1C(=Cc2ccccc2)Oc2ccccc21
InChIInChI=1S/C16H12O2/c17-11-14-13-8-4-5-9-15(13)18-16(14)10-12-6-2-1-3-7-12/h1-11,14H
InChIKeyUVUBIORLFWFJIQ-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.40
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

3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one
CID 164896790
4-hydroxy-9H-xanthene-9-carbaldehyde
CID 174562050
3-bromo-9H-xanthene-9-carbaldehyde
CID 174494099
2-(1-bromoethyl)-3-phenyl-4H-chromene-4-carbaldehyde
CID 174665847
(2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol
CID 42638994
(2Z)-2-[(4-chlorophenyl)methylidene]-3H-1-benzofuran-3-ol
CID 24806533
2-ethyl-3-(4-fluorophenyl)-4H-chromene-4-carbaldehyde
CID 174678006
3-(3,5-difluorophenyl)-2-ethyl-4H-chromene-4-carbaldehyde
CID 174801175
2,4-diethyl-9H-xanthene-9-carbaldehyde
CID 174679590
2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde
CID 174665888
9H-fluorene-9-carbaldehyde
CID 11074281
2-(bromomethyl)-3-(2-fluorophenyl)-4H-chromene-4-carbaldehyde
CID 174801140

Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-3H-1-benzofuran-3-carbaldehyde?
The IUPAC name of 2-benzylidene-3H-1-benzofuran-3-carbaldehyde (CID 174224759) is 2-benzylidene-3H-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 2-benzylidene-3H-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 2-benzylidene-3H-1-benzofuran-3-carbaldehyde is O=CC1C(=Cc2ccccc2)Oc2ccccc21.
What is the InChIKey of 2-benzylidene-3H-1-benzofuran-3-carbaldehyde?
The InChIKey is UVUBIORLFWFJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c17-11-14-13-8-4-5-9-15(13)18-16(14)10-12-6-2-1-3-7-12/h1-11,14H.
What are the key properties of 2-benzylidene-3H-1-benzofuran-3-carbaldehyde?
2-benzylidene-3H-1-benzofuran-3-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-3H-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 174224759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).