3-ethenyl-4-prop-2-enoxybenzaldehyde

C12H12O2 — CID 134858679

IUPAC3-ethenyl-4-prop-2-enoxybenzaldehyde
SMILESC=CCOc1ccc(C=O)cc1C=C
InChIInChI=1S/C12H12O2/c1-3-7-14-12-6-5-10(9-13)8-11(12)4-2/h3-6,8-9H,1-2,7H2
InChIKeyWKGQHOHMNLXQCI-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.71
Rot. Bonds5

About 3-ethenyl-4-prop-2-enoxybenzaldehyde

3-ethenyl-4-prop-2-enoxybenzaldehyde (PubChem CID 134858679) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-ethenyl-4-prop-2-enoxybenzaldehyde.

Molecular Properties

Compound Name3-ethenyl-4-prop-2-enoxybenzaldehyde
PubChem CID134858679
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name3-ethenyl-4-prop-2-enoxybenzaldehyde
SMILESC=CCOc1ccc(C=O)cc1C=C
InChIInChI=1S/C12H12O2/c1-3-7-14-12-6-5-10(9-13)8-11(12)4-2/h3-6,8-9H,1-2,7H2
InChIKeyWKGQHOHMNLXQCI-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde
CID 10704725
3-benzyl-4-prop-2-enoxybenzaldehyde
CID 130337135
4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde
CID 143714272
4-butoxybenzene-1,3-dicarbaldehyde
CID 155702679
4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde
CID 11403025
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
3-hept-6-enoxy-4-methoxybenzaldehyde
CID 107007313
4-ethenyl-3-fluorobenzaldehyde
CID 88903267
1-ethenyl-4-methyl-2-prop-2-enoxybenzene
CID 59606813
2-(4-formyl-2-prop-2-enylphenoxy)propanoic acid
CID 4763763
3,5-dimethyl-4-prop-2-enoxybenzaldehyde
CID 28932608
4-but-2-enoxy-3-chlorobenzaldehyde
CID 76914545

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-prop-2-enoxybenzaldehyde?
The IUPAC name of 3-ethenyl-4-prop-2-enoxybenzaldehyde (CID 134858679) is 3-ethenyl-4-prop-2-enoxybenzaldehyde.
What is the SMILES notation for 3-ethenyl-4-prop-2-enoxybenzaldehyde?
The canonical SMILES for 3-ethenyl-4-prop-2-enoxybenzaldehyde is C=CCOc1ccc(C=O)cc1C=C.
What is the InChIKey of 3-ethenyl-4-prop-2-enoxybenzaldehyde?
The InChIKey is WKGQHOHMNLXQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-3-7-14-12-6-5-10(9-13)8-11(12)4-2/h3-6,8-9H,1-2,7H2.
What are the key properties of 3-ethenyl-4-prop-2-enoxybenzaldehyde?
3-ethenyl-4-prop-2-enoxybenzaldehyde has a molecular weight of 188.23 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-prop-2-enoxybenzaldehyde is sourced from PubChem (CID 134858679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).