4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde

C22H18O4 — CID 19038438

IUPAC4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2cccc(COc3ccc(C=O)cc3)c2)cc1
InChIInChI=1S/C22H18O4/c23-13-17-4-8-21(9-5-17)25-15-19-2-1-3-20(12-19)16-26-22-10-6-18(14-24)7-11-22/h1-14H,15-16H2
InChIKeyZPSKSLMDQIUZPV-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.47
Rot. Bonds8

About 4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde

4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde (PubChem CID 19038438) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
PubChem CID19038438
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2cccc(COc3ccc(C=O)cc3)c2)cc1
InChIInChI=1S/C22H18O4/c23-13-17-4-8-21(9-5-17)25-15-19-2-1-3-20(12-19)16-26-22-10-6-18(14-24)7-11-22/h1-14H,15-16H2
InChIKeyZPSKSLMDQIUZPV-UHFFFAOYSA-N
XLogP4.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-formylphenoxy)methyl]benzohydrazide
CID 63571221
4-[(3-pentan-3-yloxyphenyl)methoxy]benzaldehyde
CID 87614650
3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde
CID 91655985
4-[(4-nitrosophenyl)methoxy]benzaldehyde
CID 88889564
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde
CID 91655713
3-[[4-(2,4,5-trifluorophenyl)phenoxy]methyl]benzaldehyde
CID 58293982
3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde
CID 123229702
3-[[3-[[3-[[3-[(3-formylphenyl)methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
CID 11028483
4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde
CID 161145970
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 175354116

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde?
The IUPAC name of 4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde (CID 19038438) is 4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde.
What is the SMILES notation for 4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde?
The canonical SMILES for 4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde is O=Cc1ccc(OCc2cccc(COc3ccc(C=O)cc3)c2)cc1.
What is the InChIKey of 4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde?
The InChIKey is ZPSKSLMDQIUZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c23-13-17-4-8-21(9-5-17)25-15-19-2-1-3-20(12-19)16-26-22-10-6-18(14-24)7-11-22/h1-14H,15-16H2.
What are the key properties of 4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde?
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde has a molecular weight of 346.38 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde is sourced from PubChem (CID 19038438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).