4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde

C13H16O3Si — CID 166491922

IUPAC4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde
SMILESCOc1cc(C=O)cc(C#C[Si](C)(C)C)c1O
InChIInChI=1S/C13H16O3Si/c1-16-12-8-10(9-14)7-11(13(12)15)5-6-17(2,3)4/h7-9,15H,1-4H3
InChIKeyKPVQWFFOGDVHIP-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.44
Rot. Bonds2

About 4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde

4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde (PubChem CID 166491922) has the molecular formula C13H16O3Si and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde
PubChem CID166491922
Molecular FormulaC13H16O3Si
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde
SMILESCOc1cc(C=O)cc(C#C[Si](C)(C)C)c1O
InChIInChI=1S/C13H16O3Si/c1-16-12-8-10(9-14)7-11(13(12)15)5-6-17(2,3)4/h7-9,15H,1-4H3
InChIKeyKPVQWFFOGDVHIP-UHFFFAOYSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
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

5-formyl-2-hydroxy-3-methoxybenzonitrile
CID 18359065
2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine
CID 118871773
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
CID 58629750
2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde
CID 178068399
3,5-bis(2-trimethylsilylethynyl)benzaldehyde
CID 10469998
sodium 5-formyl-2-hydroxy-3-methoxybenzoate
CID 23721913
2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
CID 169050071
3-(5-formyl-2-hydroxy-3-methoxyphenyl)prop-2-enenitrile
CID 169483942
methyl 3-[3-methoxy-4-phenoxy-5-(2-trimethylsilylethynyl)phenyl]prop-2-enoate
CID 6613393
3-[2-[(5-formyl-2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-4-hydroxy-5-methoxybenzaldehyde
CID 136617808
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
4-iodo-3,5-dimethoxybenzaldehyde
CID 11300800

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde?
The IUPAC name of 4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde (CID 166491922) is 4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde.
What is the SMILES notation for 4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde?
The canonical SMILES for 4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde is COc1cc(C=O)cc(C#C[Si](C)(C)C)c1O.
What is the InChIKey of 4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde?
The InChIKey is KPVQWFFOGDVHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3Si/c1-16-12-8-10(9-14)7-11(13(12)15)5-6-17(2,3)4/h7-9,15H,1-4H3.
What are the key properties of 4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde?
4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde has a molecular weight of 248.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde is sourced from PubChem (CID 166491922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).