2-(3,5-dimethylphenoxy)benzaldehyde

C15H14O2 — CID 1490252

IUPAC2-(3,5-dimethylphenoxy)benzaldehyde
SMILESCc1cc(C)cc(Oc2ccccc2C=O)c1
InChIInChI=1S/C15H14O2/c1-11-7-12(2)9-14(8-11)17-15-6-4-3-5-13(15)10-16/h3-10H,1-2H3
InChIKeySZCIXTZUAFRBSJ-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.91
Rot. Bonds3

About 2-(3,5-dimethylphenoxy)benzaldehyde

2-(3,5-dimethylphenoxy)benzaldehyde (PubChem CID 1490252) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)benzaldehyde.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)benzaldehyde
PubChem CID1490252
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name2-(3,5-dimethylphenoxy)benzaldehyde
SMILESCc1cc(C)cc(Oc2ccccc2C=O)c1
InChIInChI=1S/C15H14O2/c1-11-7-12(2)9-14(8-11)17-15-6-4-3-5-13(15)10-16/h3-10H,1-2H3
InChIKeySZCIXTZUAFRBSJ-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.91
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 2-(3,5-dimethylphenoxy)benzaldehyde?
The IUPAC name of 2-(3,5-dimethylphenoxy)benzaldehyde (CID 1490252) is 2-(3,5-dimethylphenoxy)benzaldehyde.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)benzaldehyde?
The canonical SMILES for 2-(3,5-dimethylphenoxy)benzaldehyde is Cc1cc(C)cc(Oc2ccccc2C=O)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)benzaldehyde?
The InChIKey is SZCIXTZUAFRBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-11-7-12(2)9-14(8-11)17-15-6-4-3-5-13(15)10-16/h3-10H,1-2H3.
What are the key properties of 2-(3,5-dimethylphenoxy)benzaldehyde?
2-(3,5-dimethylphenoxy)benzaldehyde has a molecular weight of 226.27 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)benzaldehyde is sourced from PubChem (CID 1490252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).