2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol

C25H30O3Si — CID 71653781

IUPAC2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol
SMILESCc1cccc(C[Si](C)(Cc2cccc(C)c2O)Cc2cccc(C)c2O)c1O
InChIInChI=1S/C25H30O3Si/c1-17-8-5-11-20(23(17)26)14-29(4,15-21-12-6-9-18(2)24(21)27)16-22-13-7-10-19(3)25(22)28/h5-13,26-28H,14-16H2,1-4H3
InChIKeyAZQUPZLMQJOHRW-UHFFFAOYSA-N
MW406.60 g/mol
LogP5.45
Rot. Bonds6

About 2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol

2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol (PubChem CID 71653781) has the molecular formula C25H30O3Si and a molecular weight of 406.60 g/mol. Its IUPAC name is 2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol
PubChem CID71653781
Molecular FormulaC25H30O3Si
Molecular Weight406.60 g/mol
Exact Mass406.20
IUPAC Name2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol
SMILESCc1cccc(C[Si](C)(Cc2cccc(C)c2O)Cc2cccc(C)c2O)c1O
InChIInChI=1S/C25H30O3Si/c1-17-8-5-11-20(23(17)26)14-29(4,15-21-12-6-9-18(2)24(21)27)16-22-13-7-10-19(3)25(22)28/h5-13,26-28H,14-16H2,1-4H3
InChIKeyAZQUPZLMQJOHRW-UHFFFAOYSA-N
XLogP5.45
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.60
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol?
The IUPAC name of 2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol (CID 71653781) is 2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol.
What is the SMILES notation for 2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol?
The canonical SMILES for 2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol is Cc1cccc(C[Si](C)(Cc2cccc(C)c2O)Cc2cccc(C)c2O)c1O.
What is the InChIKey of 2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol?
The InChIKey is AZQUPZLMQJOHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O3Si/c1-17-8-5-11-20(23(17)26)14-29(4,15-21-12-6-9-18(2)24(21)27)16-22-13-7-10-19(3)25(22)28/h5-13,26-28H,14-16H2,1-4H3.
What are the key properties of 2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol?
2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol has a molecular weight of 406.60 g/mol, XLogP of 5.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol is sourced from PubChem (CID 71653781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).