4-(1-ethoxyethenyl)-2-methylbenzaldehyde

C12H14O2 — CID 165464343

IUPAC4-(1-ethoxyethenyl)-2-methylbenzaldehyde
SMILESC=C(OCC)c1ccc(C=O)c(C)c1
InChIInChI=1S/C12H14O2/c1-4-14-10(3)11-5-6-12(8-13)9(2)7-11/h5-8H,3-4H2,1-2H3
InChIKeyDRAUUIYRJMXOAV-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.81
Rot. Bonds4

About 4-(1-ethoxyethenyl)-2-methylbenzaldehyde

4-(1-ethoxyethenyl)-2-methylbenzaldehyde (PubChem CID 165464343) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-(1-ethoxyethenyl)-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-(1-ethoxyethenyl)-2-methylbenzaldehyde
PubChem CID165464343
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name4-(1-ethoxyethenyl)-2-methylbenzaldehyde
SMILESC=C(OCC)c1ccc(C=O)c(C)c1
InChIInChI=1S/C12H14O2/c1-4-14-10(3)11-5-6-12(8-13)9(2)7-11/h5-8H,3-4H2,1-2H3
InChIKeyDRAUUIYRJMXOAV-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.81
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)benzaldehyde
CID 86025539
methyl 4-(1-ethoxyethenyl)-2-methylbenzoate
CID 126751882
4-(1-ethoxyethenyl)aniline
CID 90447713
4-formyl-N,N,3-trimethylbenzamide
CID 131310713
4-(2-bromopropanoyl)-2-methylbenzaldehyde
CID 130851553
1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene
CID 146207434
methyl 2-formyl-5-[1-(3-methylbut-3-enoxy)ethenyl]benzoate
CID 142609325
4-(ethylaminomethyl)-2-methylbenzaldehyde
CID 166723974
6-(1-ethoxyethenyl)-2H-isoquinolin-3-one
CID 123432971
N-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide
CID 164896874
4-[3-[4-[(E)-3-ethyl-3-hydroxypent-1-enyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzaldehyde
CID 143107177
3-ethoxy-4-formylbenzoic acid
CID 21100742

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethenyl)-2-methylbenzaldehyde?
The IUPAC name of 4-(1-ethoxyethenyl)-2-methylbenzaldehyde (CID 165464343) is 4-(1-ethoxyethenyl)-2-methylbenzaldehyde.
What is the SMILES notation for 4-(1-ethoxyethenyl)-2-methylbenzaldehyde?
The canonical SMILES for 4-(1-ethoxyethenyl)-2-methylbenzaldehyde is C=C(OCC)c1ccc(C=O)c(C)c1.
What is the InChIKey of 4-(1-ethoxyethenyl)-2-methylbenzaldehyde?
The InChIKey is DRAUUIYRJMXOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-4-14-10(3)11-5-6-12(8-13)9(2)7-11/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-(1-ethoxyethenyl)-2-methylbenzaldehyde?
4-(1-ethoxyethenyl)-2-methylbenzaldehyde has a molecular weight of 190.24 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethenyl)-2-methylbenzaldehyde is sourced from PubChem (CID 165464343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).