3-[1-(3-formylphenyl)ethenyl]benzaldehyde

C16H12O2 — CID 86226785

IUPAC3-[1-(3-formylphenyl)ethenyl]benzaldehyde
SMILESC=C(c1cccc(C=O)c1)c1cccc(C=O)c1
InChIInChI=1S/C16H12O2/c1-12(15-6-2-4-13(8-15)10-17)16-7-3-5-14(9-16)11-18/h2-11H,1H2
InChIKeyRIHKOBBFPATDGW-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.37
Rot. Bonds4

About 3-[1-(3-formylphenyl)ethenyl]benzaldehyde

3-[1-(3-formylphenyl)ethenyl]benzaldehyde (PubChem CID 86226785) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[1-(3-formylphenyl)ethenyl]benzaldehyde.

Molecular Properties

Compound Name3-[1-(3-formylphenyl)ethenyl]benzaldehyde
PubChem CID86226785
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name3-[1-(3-formylphenyl)ethenyl]benzaldehyde
SMILESC=C(c1cccc(C=O)c1)c1cccc(C=O)c1
InChIInChI=1S/C16H12O2/c1-12(15-6-2-4-13(8-15)10-17)16-7-3-5-14(9-16)11-18/h2-11H,1H2
InChIKeyRIHKOBBFPATDGW-UHFFFAOYSA-N
XLogP3.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.37
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

1-ethenyl-3-[1-(3-ethenylphenyl)ethenyl]benzene
CID 177093061
3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde
CID 21185927
3-formylbenzoyl iodide
CID 88830571
3-formylbenzoic acid;methanol
CID 142242456
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
[2-cyano-2-(3-formylphenyl)ethenylidene]azanide
CID 139242931
3-[2-(dimethylamino)acetyl]benzaldehyde
CID 55272304
[2,3,4,5,6-pentakis[(4-formylbenzoyl)oxymethyl]phenyl]methyl 3-formylbenzoate
CID 138981671
ethane;3-[(3Z,5E)-6,7,7-trimethylocta-1,3,5-trien-2-yl]benzaldehyde
CID 144776351
3-(2-bromoprop-2-enyl)benzaldehyde
CID 13243283
benzene-1,3-dicarbaldehyde;carbon monoxide;chromium
CID 11161539
methyl 3-bromo-5-formylbenzoate;methyl 3-formylbenzoate
CID 175788810

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-formylphenyl)ethenyl]benzaldehyde?
The IUPAC name of 3-[1-(3-formylphenyl)ethenyl]benzaldehyde (CID 86226785) is 3-[1-(3-formylphenyl)ethenyl]benzaldehyde.
What is the SMILES notation for 3-[1-(3-formylphenyl)ethenyl]benzaldehyde?
The canonical SMILES for 3-[1-(3-formylphenyl)ethenyl]benzaldehyde is C=C(c1cccc(C=O)c1)c1cccc(C=O)c1.
What is the InChIKey of 3-[1-(3-formylphenyl)ethenyl]benzaldehyde?
The InChIKey is RIHKOBBFPATDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c1-12(15-6-2-4-13(8-15)10-17)16-7-3-5-14(9-16)11-18/h2-11H,1H2.
What are the key properties of 3-[1-(3-formylphenyl)ethenyl]benzaldehyde?
3-[1-(3-formylphenyl)ethenyl]benzaldehyde has a molecular weight of 236.27 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-formylphenyl)ethenyl]benzaldehyde is sourced from PubChem (CID 86226785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).