4-ethenylbenzaldehyde;methoxyethane

C12H16O2 — CID 142202531

IUPAC4-ethenylbenzaldehyde;methoxyethane
SMILESC=Cc1ccc(C=O)cc1.CCOC
InChIInChI=1S/C9H8O.C3H8O/c1-2-8-3-5-9(7-10)6-4-8;1-3-4-2/h2-7H,1H2;3H2,1-2H3
InChIKeyKBESIAZZPRLDPH-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.79
Rot. Bonds3

About 4-ethenylbenzaldehyde;methoxyethane

4-ethenylbenzaldehyde;methoxyethane (PubChem CID 142202531) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-ethenylbenzaldehyde;methoxyethane.

Molecular Properties

Compound Name4-ethenylbenzaldehyde;methoxyethane
PubChem CID142202531
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-ethenylbenzaldehyde;methoxyethane
SMILESC=Cc1ccc(C=O)cc1.CCOC
InChIInChI=1S/C9H8O.C3H8O/c1-2-8-3-5-9(7-10)6-4-8;1-3-4-2/h2-7H,1H2;3H2,1-2H3
InChIKeyKBESIAZZPRLDPH-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.79
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

Benzaldehyde
CID 240
Acetophenone
CID 7410
Phthalaldehyde
CID 4807
Cyclamen aldehyde
CID 517827
4-Methylbenzaldehyde
CID 7725
alpha-Hexylcinnamaldehyde
CID 1550884
1-Phenyl-1-propanone
CID 7148
1-Phenyl-1,2-propanedione
CID 11363
2-Methylbenzaldehyde
CID 10722
2-Benzylideneheptanal
CID 1712058
4-Ethylbenzaldehyde
CID 20861
Cuminaldehyde
CID 326

Frequently Asked Questions

What is the IUPAC name of 4-ethenylbenzaldehyde;methoxyethane?
The IUPAC name of 4-ethenylbenzaldehyde;methoxyethane (CID 142202531) is 4-ethenylbenzaldehyde;methoxyethane.
What is the SMILES notation for 4-ethenylbenzaldehyde;methoxyethane?
The canonical SMILES for 4-ethenylbenzaldehyde;methoxyethane is C=Cc1ccc(C=O)cc1.CCOC.
What is the InChIKey of 4-ethenylbenzaldehyde;methoxyethane?
The InChIKey is KBESIAZZPRLDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.C3H8O/c1-2-8-3-5-9(7-10)6-4-8;1-3-4-2/h2-7H,1H2;3H2,1-2H3.
What are the key properties of 4-ethenylbenzaldehyde;methoxyethane?
4-ethenylbenzaldehyde;methoxyethane has a molecular weight of 192.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylbenzaldehyde;methoxyethane is sourced from PubChem (CID 142202531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).