3-(2-cyclobutylethoxy)-4-methylbenzaldehyde

C14H18O2 — CID 106202444

IUPAC3-(2-cyclobutylethoxy)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1OCCC1CCC1
InChIInChI=1S/C14H18O2/c1-11-5-6-13(10-15)9-14(11)16-8-7-12-3-2-4-12/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyJQPNGPVFFMSFPH-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.38
Rot. Bonds5

About 3-(2-cyclobutylethoxy)-4-methylbenzaldehyde

3-(2-cyclobutylethoxy)-4-methylbenzaldehyde (PubChem CID 106202444) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2-cyclobutylethoxy)-4-methylbenzaldehyde.

Molecular Properties

Compound Name3-(2-cyclobutylethoxy)-4-methylbenzaldehyde
PubChem CID106202444
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-(2-cyclobutylethoxy)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1OCCC1CCC1
InChIInChI=1S/C14H18O2/c1-11-5-6-13(10-15)9-14(11)16-8-7-12-3-2-4-12/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyJQPNGPVFFMSFPH-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylethoxy)-4-methylbenzaldehyde?
The IUPAC name of 3-(2-cyclobutylethoxy)-4-methylbenzaldehyde (CID 106202444) is 3-(2-cyclobutylethoxy)-4-methylbenzaldehyde.
What is the SMILES notation for 3-(2-cyclobutylethoxy)-4-methylbenzaldehyde?
The canonical SMILES for 3-(2-cyclobutylethoxy)-4-methylbenzaldehyde is Cc1ccc(C=O)cc1OCCC1CCC1.
What is the InChIKey of 3-(2-cyclobutylethoxy)-4-methylbenzaldehyde?
The InChIKey is JQPNGPVFFMSFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-11-5-6-13(10-15)9-14(11)16-8-7-12-3-2-4-12/h5-6,9-10,12H,2-4,7-8H2,1H3.
What are the key properties of 3-(2-cyclobutylethoxy)-4-methylbenzaldehyde?
3-(2-cyclobutylethoxy)-4-methylbenzaldehyde has a molecular weight of 218.30 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethoxy)-4-methylbenzaldehyde is sourced from PubChem (CID 106202444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).