2,4-diphenoxybenzaldehyde

C19H14O3 — CID 87301631

IUPAC2,4-diphenoxybenzaldehyde
SMILESO=Cc1ccc(Oc2ccccc2)cc1Oc1ccccc1
InChIInChI=1S/C19H14O3/c20-14-15-11-12-18(21-16-7-3-1-4-8-16)13-19(15)22-17-9-5-2-6-10-17/h1-14H
InChIKeyQBPUUQGTTYSBCR-UHFFFAOYSA-N
MW290.32 g/mol
LogP5.08
Rot. Bonds5

About 2,4-diphenoxybenzaldehyde

2,4-diphenoxybenzaldehyde (PubChem CID 87301631) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2,4-diphenoxybenzaldehyde.

Molecular Properties

Compound Name2,4-diphenoxybenzaldehyde
PubChem CID87301631
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name2,4-diphenoxybenzaldehyde
SMILESO=Cc1ccc(Oc2ccccc2)cc1Oc1ccccc1
InChIInChI=1S/C19H14O3/c20-14-15-11-12-18(21-16-7-3-1-4-8-16)13-19(15)22-17-9-5-2-6-10-17/h1-14H
InChIKeyQBPUUQGTTYSBCR-UHFFFAOYSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.32
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-(3-methoxyphenoxy)benzaldehyde
CID 122403845
2-chloro-5-phenoxybenzaldehyde
CID 131420183
4-(4-fluorophenoxy)-2-methoxybenzaldehyde
CID 174997678
7-phenoxynaphthalene-1-carbaldehyde
CID 146459921
2-chloro-7-phenoxyquinoline-3-carbaldehyde
CID 143687887
2-[4-(2-phenylethenyl)phenoxy]benzaldehyde
CID 57248486
5-hydroxy-2-phenoxybenzaldehyde
CID 125464703
2-(4-bromophenoxy)benzaldehyde
CID 28604058
4-chloro-2-(3-fluorophenoxy)benzaldehyde
CID 58753975
4-bromo-2-(4-fluorophenoxy)benzaldehyde
CID 43173970
4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde
CID 13368776
2-formyl-N-methyl-4-phenoxybenzamide
CID 141490804

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenoxybenzaldehyde?
The IUPAC name of 2,4-diphenoxybenzaldehyde (CID 87301631) is 2,4-diphenoxybenzaldehyde.
What is the SMILES notation for 2,4-diphenoxybenzaldehyde?
The canonical SMILES for 2,4-diphenoxybenzaldehyde is O=Cc1ccc(Oc2ccccc2)cc1Oc1ccccc1.
What is the InChIKey of 2,4-diphenoxybenzaldehyde?
The InChIKey is QBPUUQGTTYSBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c20-14-15-11-12-18(21-16-7-3-1-4-8-16)13-19(15)22-17-9-5-2-6-10-17/h1-14H.
What are the key properties of 2,4-diphenoxybenzaldehyde?
2,4-diphenoxybenzaldehyde has a molecular weight of 290.32 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenoxybenzaldehyde is sourced from PubChem (CID 87301631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).