3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde

C22H20O4 — CID 11484837

IUPAC3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2cccc(C=O)c2)cc1OCc1ccccc1
InChIInChI=1S/C22H20O4/c1-24-21-11-10-19(16-25-20-9-5-8-18(12-20)14-23)13-22(21)26-15-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3
InChIKeyKEFUVSBHMXIWSC-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.67
Rot. Bonds8

About 3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde

3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde (PubChem CID 11484837) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde
PubChem CID11484837
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2cccc(C=O)c2)cc1OCc1ccccc1
InChIInChI=1S/C22H20O4/c1-24-21-11-10-19(16-25-20-9-5-8-18(12-20)14-23)13-22(21)26-15-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3
InChIKeyKEFUVSBHMXIWSC-UHFFFAOYSA-N
XLogP4.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.67
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-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde
CID 172879583
4-methoxy-3-[[5-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]-2-nitrophenyl]methoxy]benzaldehyde
CID 5255407
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
3,4-dimethoxybenzaldehyde;3,5-dimethoxybenzaldehyde;(4-formyl-2-methoxyphenyl) acetate;3-methoxybenzaldehyde;3-methoxy-4-phenylmethoxybenzaldehyde;3-phenylmethoxybenzaldehyde;3,4,5-trimethoxybenzaldehyde
CID 159819043
4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde
CID 161145970
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene
CID 141466658
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde?
The IUPAC name of 3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde (CID 11484837) is 3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde is COc1ccc(COc2cccc(C=O)c2)cc1OCc1ccccc1.
What is the InChIKey of 3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde?
The InChIKey is KEFUVSBHMXIWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-24-21-11-10-19(16-25-20-9-5-8-18(12-20)14-23)13-22(21)26-15-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3.
What are the key properties of 3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde?
3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde has a molecular weight of 348.40 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 11484837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).