3-ethenyl-2-(4-ethenylbenzoyl)benzaldehyde

C18H14O2 — CID 23209302

IUPAC3-ethenyl-2-(4-ethenylbenzoyl)benzaldehyde
SMILESC=Cc1ccc(C(=O)c2c(C=C)cccc2C=O)cc1
InChIInChI=1S/C18H14O2/c1-3-13-8-10-15(11-9-13)18(20)17-14(4-2)6-5-7-16(17)12-19/h3-12H,1-2H2
InChIKeyHSKYUBXTRLHABB-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.02
Rot. Bonds5

About 3-ethenyl-2-(4-ethenylbenzoyl)benzaldehyde

3-ethenyl-2-(4-ethenylbenzoyl)benzaldehyde (PubChem CID 23209302) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-ethenyl-2-(4-ethenylbenzoyl)benzaldehyde.

Molecular Properties

Compound Name3-ethenyl-2-(4-ethenylbenzoyl)benzaldehyde
PubChem CID23209302
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name3-ethenyl-2-(4-ethenylbenzoyl)benzaldehyde
SMILESC=Cc1ccc(C(=O)c2c(C=C)cccc2C=O)cc1
InChIInChI=1S/C18H14O2/c1-3-13-8-10-15(11-9-13)18(20)17-14(4-2)6-5-7-16(17)12-19/h3-12H,1-2H2
InChIKeyHSKYUBXTRLHABB-UHFFFAOYSA-N
XLogP4.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.02
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-dibenzoylbenzaldehyde
CID 54496315
4-ethenylbenzoic acid;styrene
CID 22341601
4-ethenylbenzoic acid;silver
CID 58108047
1,2-bis(ethenyl)benzene;4-ethenylphenol
CID 131712069
silver 4-ethenylbenzoate
CID 86649830
benzene-1,3-dicarboxylic acid;styrene
CID 159798879
1,4-bis(ethenyl)benzene;urea
CID 18766675
ethane;4-ethenylbenzaldehyde;methanol
CID 145257889
4-(4-ethenylphenyl)benzoic acid
CID 10955203
[3-(3-ethenylphenyl)phenyl]-phenylmethanone
CID 89282549
1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene
CID 161166540
4-(2-chlorobenzoyl)benzaldehyde
CID 82118162

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-(4-ethenylbenzoyl)benzaldehyde?
The IUPAC name of 3-ethenyl-2-(4-ethenylbenzoyl)benzaldehyde (CID 23209302) is 3-ethenyl-2-(4-ethenylbenzoyl)benzaldehyde.
What is the SMILES notation for 3-ethenyl-2-(4-ethenylbenzoyl)benzaldehyde?
The canonical SMILES for 3-ethenyl-2-(4-ethenylbenzoyl)benzaldehyde is C=Cc1ccc(C(=O)c2c(C=C)cccc2C=O)cc1.
What is the InChIKey of 3-ethenyl-2-(4-ethenylbenzoyl)benzaldehyde?
The InChIKey is HSKYUBXTRLHABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-3-13-8-10-15(11-9-13)18(20)17-14(4-2)6-5-7-16(17)12-19/h3-12H,1-2H2.
What are the key properties of 3-ethenyl-2-(4-ethenylbenzoyl)benzaldehyde?
3-ethenyl-2-(4-ethenylbenzoyl)benzaldehyde has a molecular weight of 262.31 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-(4-ethenylbenzoyl)benzaldehyde is sourced from PubChem (CID 23209302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).