3-ethoxy-4-phenylmethoxybenzaldehyde

C16H16O3 — CID 561364

IUPAC3-ethoxy-4-phenylmethoxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1ccccc1
InChIInChI=1S/C16H16O3/c1-2-18-16-10-14(11-17)8-9-15(16)19-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyNCOFQZRLIYPMNJ-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.48
Rot. Bonds6

About 3-ethoxy-4-phenylmethoxybenzaldehyde

3-ethoxy-4-phenylmethoxybenzaldehyde (PubChem CID 561364) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-ethoxy-4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-phenylmethoxybenzaldehyde
PubChem CID561364
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-ethoxy-4-phenylmethoxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1ccccc1
InChIInChI=1S/C16H16O3/c1-2-18-16-10-14(11-17)8-9-15(16)19-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyNCOFQZRLIYPMNJ-UHFFFAOYSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.48
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 3-ethoxy-4-phenylmethoxybenzaldehyde?
The IUPAC name of 3-ethoxy-4-phenylmethoxybenzaldehyde (CID 561364) is 3-ethoxy-4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 3-ethoxy-4-phenylmethoxybenzaldehyde?
The canonical SMILES for 3-ethoxy-4-phenylmethoxybenzaldehyde is CCOc1cc(C=O)ccc1OCc1ccccc1.
What is the InChIKey of 3-ethoxy-4-phenylmethoxybenzaldehyde?
The InChIKey is NCOFQZRLIYPMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-18-16-10-14(11-17)8-9-15(16)19-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3.
What are the key properties of 3-ethoxy-4-phenylmethoxybenzaldehyde?
3-ethoxy-4-phenylmethoxybenzaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-phenylmethoxybenzaldehyde is sourced from PubChem (CID 561364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).