2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde

C22H20O3 — CID 59839615

IUPAC2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde
SMILESO=Cc1ccc(COCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C22H20O3/c23-14-21-12-11-20(16-24-15-18-7-3-1-4-8-18)13-22(21)25-17-19-9-5-2-6-10-19/h1-14H,15-17H2
InChIKeyRSQLPBZRVJCWNJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.79
Rot. Bonds8

About 2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde

2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde (PubChem CID 59839615) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde.

Molecular Properties

Compound Name2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde
PubChem CID59839615
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde
SMILESO=Cc1ccc(COCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C22H20O3/c23-14-21-12-11-20(16-24-15-18-7-3-1-4-8-18)13-22(21)25-17-19-9-5-2-6-10-19/h1-14H,15-17H2
InChIKeyRSQLPBZRVJCWNJ-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
2-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 166595085
1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
CID 147786681
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde
CID 172650789
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
CID 110005164
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde
CID 56605246
3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzaldehyde
CID 101265735
2-chloro-3-methyl-4-phenylmethoxybenzaldehyde
CID 164892231
2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde?
The IUPAC name of 2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde (CID 59839615) is 2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde.
What is the SMILES notation for 2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde?
The canonical SMILES for 2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde is O=Cc1ccc(COCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde?
The InChIKey is RSQLPBZRVJCWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c23-14-21-12-11-20(16-24-15-18-7-3-1-4-8-18)13-22(21)25-17-19-9-5-2-6-10-19/h1-14H,15-17H2.
What are the key properties of 2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde?
2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde has a molecular weight of 332.40 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde is sourced from PubChem (CID 59839615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).