4-[bis(phenylmethoxy)methyl]benzaldehyde

C22H20O3 — CID 54422939

IUPAC4-[bis(phenylmethoxy)methyl]benzaldehyde
SMILESO=Cc1ccc(C(OCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C22H20O3/c23-15-18-11-13-21(14-12-18)22(24-16-19-7-3-1-4-8-19)25-17-20-9-5-2-6-10-20/h1-15,22H,16-17H2
InChIKeyWCBJFYYCPFHZPW-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.93
Rot. Bonds8

About 4-[bis(phenylmethoxy)methyl]benzaldehyde

4-[bis(phenylmethoxy)methyl]benzaldehyde (PubChem CID 54422939) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[bis(phenylmethoxy)methyl]benzaldehyde.

Molecular Properties

Compound Name4-[bis(phenylmethoxy)methyl]benzaldehyde
PubChem CID54422939
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name4-[bis(phenylmethoxy)methyl]benzaldehyde
SMILESO=Cc1ccc(C(OCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C22H20O3/c23-15-18-11-13-21(14-12-18)22(24-16-19-7-3-1-4-8-19)25-17-20-9-5-2-6-10-20/h1-15,22H,16-17H2
InChIKeyWCBJFYYCPFHZPW-UHFFFAOYSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-2-phenylmethoxyacetaldehyde
CID 11117750
[phenyl(phenylmethoxy)methyl] dihydrogen phosphate
CID 67285641
benzyl N-[3-(4-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855537
benzene;terephthalaldehyde
CID 163498156
3-phenylmethoxypentanedial
CID 154678181
4-[hydroxy(phenyl)methyl]benzaldehyde
CID 11806006
benzyl (4-formylphenyl) carbonate
CID 11334337
6-phenylmethoxypyridine-3-carbaldehyde
CID 21102205
benzhydryloxymethylbenzene
CID 11437288
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
2-methoxy-2-phenylmethoxyacetaldehyde
CID 87601586

Frequently Asked Questions

What is the IUPAC name of 4-[bis(phenylmethoxy)methyl]benzaldehyde?
The IUPAC name of 4-[bis(phenylmethoxy)methyl]benzaldehyde (CID 54422939) is 4-[bis(phenylmethoxy)methyl]benzaldehyde.
What is the SMILES notation for 4-[bis(phenylmethoxy)methyl]benzaldehyde?
The canonical SMILES for 4-[bis(phenylmethoxy)methyl]benzaldehyde is O=Cc1ccc(C(OCc2ccccc2)OCc2ccccc2)cc1.
What is the InChIKey of 4-[bis(phenylmethoxy)methyl]benzaldehyde?
The InChIKey is WCBJFYYCPFHZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c23-15-18-11-13-21(14-12-18)22(24-16-19-7-3-1-4-8-19)25-17-20-9-5-2-6-10-20/h1-15,22H,16-17H2.
What are the key properties of 4-[bis(phenylmethoxy)methyl]benzaldehyde?
4-[bis(phenylmethoxy)methyl]benzaldehyde has a molecular weight of 332.40 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(phenylmethoxy)methyl]benzaldehyde is sourced from PubChem (CID 54422939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).