4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde

C22H20O4 — CID 86235408

IUPAC4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde
SMILESCOCOc1ccc(C=O)cc1Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H20O4/c1-24-16-25-22-12-9-18(15-23)14-19(22)13-17-7-10-21(11-8-17)26-20-5-3-2-4-6-20/h2-12,14-15H,13,16H2,1H3
InChIKeyMUTJBVAQSOFTBM-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.86
Rot. Bonds8

About 4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde

4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde (PubChem CID 86235408) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde.

Molecular Properties

Compound Name4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde
PubChem CID86235408
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde
SMILESCOCOc1ccc(C=O)cc1Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H20O4/c1-24-16-25-22-12-9-18(15-23)14-19(22)13-17-7-10-21(11-8-17)26-20-5-3-2-4-6-20/h2-12,14-15H,13,16H2,1H3
InChIKeyMUTJBVAQSOFTBM-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde
CID 86235410
1-(methoxymethoxy)-2-[(4-phenoxyphenyl)methyl]benzene
CID 141142570
3-[[4-(2-ethoxyethoxy)phenyl]methyl]-4-(methoxymethoxy)benzaldehyde
CID 87448764
4-(methoxymethoxy)-3-[(4-methylsulfanylphenyl)methyl]benzaldehyde
CID 86235418
4-(methoxymethoxy)-3-[(4-methylsulfonylphenyl)methyl]benzaldehyde
CID 86235358
diethoxyphosphoryl-[4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]phenyl]methanol
CID 91115614
3-[(4-ethoxyphenoxy)methyl]-4-(methoxymethoxy)benzaldehyde
CID 86235417
3-benzyl-4-prop-2-enoxybenzaldehyde
CID 130337135
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
4-[2-(methoxymethoxy)ethoxy]-3-[(4-octoxyphenyl)methyl]benzaldehyde
CID 87449590
4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde
CID 14559752
3-(4-formylphenoxy)-5-(methoxymethoxy)benzoic acid
CID 23092980

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde?
The IUPAC name of 4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde (CID 86235408) is 4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde.
What is the SMILES notation for 4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde?
The canonical SMILES for 4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde is COCOc1ccc(C=O)cc1Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde?
The InChIKey is MUTJBVAQSOFTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-24-16-25-22-12-9-18(15-23)14-19(22)13-17-7-10-21(11-8-17)26-20-5-3-2-4-6-20/h2-12,14-15H,13,16H2,1H3.
What are the key properties of 4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde?
4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde has a molecular weight of 348.40 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde is sourced from PubChem (CID 86235408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).