2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol

C22H31FO3Si — CID 131736006

IUPAC2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol
SMILESCOc1ccc(F)c(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2O)c1
InChIInChI=1S/C22H31FO3Si/c1-14(2)27(15(3)4,16(5)6)26-18-8-10-19(22(24)13-18)20-12-17(25-7)9-11-21(20)23/h8-16,24H,1-7H3
InChIKeyDDTNFXOCFNLNAC-UHFFFAOYSA-N
MW390.57 g/mol
LogP6.76
Rot. Bonds7

About 2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol

2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol (PubChem CID 131736006) has the molecular formula C22H31FO3Si and a molecular weight of 390.57 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol
PubChem CID131736006
Molecular FormulaC22H31FO3Si
Molecular Weight390.57 g/mol
Exact Mass390.20
IUPAC Name2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol
SMILESCOc1ccc(F)c(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2O)c1
InChIInChI=1S/C22H31FO3Si/c1-14(2)27(15(3)4,16(5)6)26-18-8-10-19(22(24)13-18)20-12-17(25-7)9-11-21(20)23/h8-16,24H,1-7H3
InChIKeyDDTNFXOCFNLNAC-UHFFFAOYSA-N
XLogP6.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 56.76
H-Bond Donors ≤ 51
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-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol?
The IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol (CID 131736006) is 2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol.
What is the SMILES notation for 2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol?
The canonical SMILES for 2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol is COc1ccc(F)c(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2O)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol?
The InChIKey is DDTNFXOCFNLNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FO3Si/c1-14(2)27(15(3)4,16(5)6)26-18-8-10-19(22(24)13-18)20-12-17(25-7)9-11-21(20)23/h8-16,24H,1-7H3.
What are the key properties of 2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol?
2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol has a molecular weight of 390.57 g/mol, XLogP of 6.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol is sourced from PubChem (CID 131736006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).