[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol

C19H25FO2Si — CID 23553299

IUPAC[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H25FO2Si/c1-19(2,3)23(4,5)22-17-11-9-14(10-12-17)18(21)15-7-6-8-16(20)13-15/h6-13,18,21H,1-5H3
InChIKeyAAFNWZRKALOLMR-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.29
Rot. Bonds4

About [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol

[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol (PubChem CID 23553299) has the molecular formula C19H25FO2Si and a molecular weight of 332.49 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol
PubChem CID23553299
Molecular FormulaC19H25FO2Si
Molecular Weight332.49 g/mol
Exact Mass332.16
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H25FO2Si/c1-19(2,3)23(4,5)22-17-11-9-14(10-12-17)18(21)15-7-6-8-16(20)13-15/h6-13,18,21H,1-5H3
InChIKeyAAFNWZRKALOLMR-UHFFFAOYSA-N
XLogP5.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol (CID 23553299) is [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol is CC(C)(C)[Si](C)(C)Oc1ccc(C(O)c2cccc(F)c2)cc1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol?
The InChIKey is AAFNWZRKALOLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FO2Si/c1-19(2,3)23(4,5)22-17-11-9-14(10-12-17)18(21)15-7-6-8-16(20)13-15/h6-13,18,21H,1-5H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol?
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol has a molecular weight of 332.49 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol is sourced from PubChem (CID 23553299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).