4-(cyclohexen-1-yloxy)benzaldehyde

C13H14O2 — CID 12032145

IUPAC4-(cyclohexen-1-yloxy)benzaldehyde
SMILESO=Cc1ccc(OC2=CCCCC2)cc1
InChIInChI=1S/C13H14O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h4,6-10H,1-3,5H2
InChIKeyIRWAGATVMYZRKO-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.34
Rot. Bonds3

About 4-(cyclohexen-1-yloxy)benzaldehyde

4-(cyclohexen-1-yloxy)benzaldehyde (PubChem CID 12032145) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-(cyclohexen-1-yloxy)benzaldehyde.

Molecular Properties

Compound Name4-(cyclohexen-1-yloxy)benzaldehyde
PubChem CID12032145
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name4-(cyclohexen-1-yloxy)benzaldehyde
SMILESO=Cc1ccc(OC2=CCCCC2)cc1
InChIInChI=1S/C13H14O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h4,6-10H,1-3,5H2
InChIKeyIRWAGATVMYZRKO-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.34
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 4-(cyclohexen-1-yloxy)benzaldehyde?
The IUPAC name of 4-(cyclohexen-1-yloxy)benzaldehyde (CID 12032145) is 4-(cyclohexen-1-yloxy)benzaldehyde.
What is the SMILES notation for 4-(cyclohexen-1-yloxy)benzaldehyde?
The canonical SMILES for 4-(cyclohexen-1-yloxy)benzaldehyde is O=Cc1ccc(OC2=CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexen-1-yloxy)benzaldehyde?
The InChIKey is IRWAGATVMYZRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h4,6-10H,1-3,5H2.
What are the key properties of 4-(cyclohexen-1-yloxy)benzaldehyde?
4-(cyclohexen-1-yloxy)benzaldehyde has a molecular weight of 202.25 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yloxy)benzaldehyde is sourced from PubChem (CID 12032145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).