3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde

C22H20O4 — CID 22670004

IUPAC3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
SMILESCOc1cc(C=O)cc(OC)c1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20O4/c1-24-20-12-17(14-23)13-21(25-2)22(20)18-8-10-19(11-9-18)26-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3
InChIKeyDEMXQHUBFOQDOF-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.76
Rot. Bonds7

About 3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde

3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde (PubChem CID 22670004) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
PubChem CID22670004
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
SMILESCOc1cc(C=O)cc(OC)c1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20O4/c1-24-20-12-17(14-23)13-21(25-2)22(20)18-8-10-19(11-9-18)26-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3
InChIKeyDEMXQHUBFOQDOF-UHFFFAOYSA-N
XLogP4.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.76
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-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde
CID 101137302
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
3-chloro-5-methoxy-4-(phenylmethoxymethoxy)benzaldehyde
CID 102939672
4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde
CID 101137305
5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde
CID 46909849
4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde
CID 172879583
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691
3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
CID 563706
7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde
CID 86028919
1-methoxy-3-nitro-2-(4-phenylmethoxyphenyl)benzene
CID 67026370

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde?
The IUPAC name of 3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde (CID 22670004) is 3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde.
What is the SMILES notation for 3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde?
The canonical SMILES for 3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde is COc1cc(C=O)cc(OC)c1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde?
The InChIKey is DEMXQHUBFOQDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-24-20-12-17(14-23)13-21(25-2)22(20)18-8-10-19(11-9-18)26-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3.
What are the key properties of 3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde?
3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde has a molecular weight of 348.40 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde is sourced from PubChem (CID 22670004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).