4-(1-ethoxyethenyl)benzaldehyde

C11H12O2 — CID 86025539

IUPAC4-(1-ethoxyethenyl)benzaldehyde
SMILESC=C(OCC)c1ccc(C=O)cc1
InChIInChI=1S/C11H12O2/c1-3-13-9(2)11-6-4-10(8-12)5-7-11/h4-8H,2-3H2,1H3
InChIKeyUXALBERMBSZVJQ-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.51
Rot. Bonds4

About 4-(1-ethoxyethenyl)benzaldehyde

4-(1-ethoxyethenyl)benzaldehyde (PubChem CID 86025539) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 4-(1-ethoxyethenyl)benzaldehyde.

Molecular Properties

Compound Name4-(1-ethoxyethenyl)benzaldehyde
PubChem CID86025539
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name4-(1-ethoxyethenyl)benzaldehyde
SMILESC=C(OCC)c1ccc(C=O)cc1
InChIInChI=1S/C11H12O2/c1-3-13-9(2)11-6-4-10(8-12)5-7-11/h4-8H,2-3H2,1H3
InChIKeyUXALBERMBSZVJQ-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(1-ethoxyethenyl)aniline
CID 90447713
4-(1-ethoxyethenyl)-2-methylbenzaldehyde
CID 165464343
ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate
CID 146802367
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-formylbenzoate
CID 2504377
diethyl (Z)-2-(4-formylphenyl)but-2-enedioate
CID 18348059
1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene
CID 146686998
4-[[10-[bis(4-formylphenyl)methylidene]anthracen-9-ylidene]-(4-formylphenyl)methyl]benzaldehyde;ethyl acetate
CID 139187345
4-ethenylbenzaldehyde;methoxyethane
CID 142202531
1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine
CID 165469702
ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate
CID 11709102
prop-1-en-2-yl 4-formylbenzoate
CID 11469547
ethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate
CID 168861948

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethenyl)benzaldehyde?
The IUPAC name of 4-(1-ethoxyethenyl)benzaldehyde (CID 86025539) is 4-(1-ethoxyethenyl)benzaldehyde.
What is the SMILES notation for 4-(1-ethoxyethenyl)benzaldehyde?
The canonical SMILES for 4-(1-ethoxyethenyl)benzaldehyde is C=C(OCC)c1ccc(C=O)cc1.
What is the InChIKey of 4-(1-ethoxyethenyl)benzaldehyde?
The InChIKey is UXALBERMBSZVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-13-9(2)11-6-4-10(8-12)5-7-11/h4-8H,2-3H2,1H3.
What are the key properties of 4-(1-ethoxyethenyl)benzaldehyde?
4-(1-ethoxyethenyl)benzaldehyde has a molecular weight of 176.21 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethenyl)benzaldehyde is sourced from PubChem (CID 86025539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).