2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde

C20H22O3Si — CID 172541807

IUPAC2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde
SMILESCOc1ccc(COc2ccc(C#C[Si](C)(C)C)cc2C=O)cc1
InChIInChI=1S/C20H22O3Si/c1-22-19-8-5-17(6-9-19)15-23-20-10-7-16(13-18(20)14-21)11-12-24(2,3)4/h5-10,13-14H,15H2,1-4H3
InChIKeyOOMPBKMZJWBQGE-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.32
Rot. Bonds5

About 2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde

2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde (PubChem CID 172541807) has the molecular formula C20H22O3Si and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde
PubChem CID172541807
Molecular FormulaC20H22O3Si
Molecular Weight338.48 g/mol
Exact Mass338.13
IUPAC Name2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde
SMILESCOc1ccc(COc2ccc(C#C[Si](C)(C)C)cc2C=O)cc1
InChIInChI=1S/C20H22O3Si/c1-22-19-8-5-17(6-9-19)15-23-20-10-7-16(13-18(20)14-21)11-12-24(2,3)4/h5-10,13-14H,15H2,1-4H3
InChIKeyOOMPBKMZJWBQGE-UHFFFAOYSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 28880484
2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
3-[(2-formyl-4-methoxyphenoxy)methyl]benzonitrile
CID 43213407
2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde
CID 88918697
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
2-fluoro-5-[(2-formyl-4-methoxyphenoxy)methyl]benzonitrile
CID 103758787
2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde
CID 161167132
2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 58990542
5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640692
trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane
CID 134093066
2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde
CID 43267878
CID 90127615
CID 90127615

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde?
The IUPAC name of 2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde (CID 172541807) is 2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde is COc1ccc(COc2ccc(C#C[Si](C)(C)C)cc2C=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde?
The InChIKey is OOMPBKMZJWBQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3Si/c1-22-19-8-5-17(6-9-19)15-23-20-10-7-16(13-18(20)14-21)11-12-24(2,3)4/h5-10,13-14H,15H2,1-4H3.
What are the key properties of 2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde?
2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde has a molecular weight of 338.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde is sourced from PubChem (CID 172541807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).