2-(4-methoxyphenoxy)benzaldehyde

C14H12O3 — CID 2767673

IUPAC2-(4-methoxyphenoxy)benzaldehyde
SMILESCOc1ccc(Oc2ccccc2C=O)cc1
InChIInChI=1S/C14H12O3/c1-16-12-6-8-13(9-7-12)17-14-5-3-2-4-11(14)10-15/h2-10H,1H3
InChIKeyZPGJUBFCROCTOT-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.30
Rot. Bonds4

About 2-(4-methoxyphenoxy)benzaldehyde

2-(4-methoxyphenoxy)benzaldehyde (PubChem CID 2767673) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)benzaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)benzaldehyde
PubChem CID2767673
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name2-(4-methoxyphenoxy)benzaldehyde
SMILESCOc1ccc(Oc2ccccc2C=O)cc1
InChIInChI=1S/C14H12O3/c1-16-12-6-8-13(9-7-12)17-14-5-3-2-4-11(14)10-15/h2-10H,1H3
InChIKeyZPGJUBFCROCTOT-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-methoxyphenoxy)benzaldehyde?
The IUPAC name of 2-(4-methoxyphenoxy)benzaldehyde (CID 2767673) is 2-(4-methoxyphenoxy)benzaldehyde.
What is the SMILES notation for 2-(4-methoxyphenoxy)benzaldehyde?
The canonical SMILES for 2-(4-methoxyphenoxy)benzaldehyde is COc1ccc(Oc2ccccc2C=O)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)benzaldehyde?
The InChIKey is ZPGJUBFCROCTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-16-12-6-8-13(9-7-12)17-14-5-3-2-4-11(14)10-15/h2-10H,1H3.
What are the key properties of 2-(4-methoxyphenoxy)benzaldehyde?
2-(4-methoxyphenoxy)benzaldehyde has a molecular weight of 228.25 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)benzaldehyde is sourced from PubChem (CID 2767673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).