(3-fluorophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol

C22H31FO2Si — CID 134836062

IUPAC(3-fluorophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol
SMILESCC(C)[Si](Oc1ccc(C(O)c2cccc(F)c2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C22H31FO2Si/c1-15(2)26(16(3)4,17(5)6)25-21-12-10-18(11-13-21)22(24)19-8-7-9-20(23)14-19/h7-17,22,24H,1-6H3
InChIKeyUBTLMGSKOCDTMH-UHFFFAOYSA-N
MW374.57 g/mol
LogP6.46
Rot. Bonds7

About (3-fluorophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol

(3-fluorophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol (PubChem CID 134836062) has the molecular formula C22H31FO2Si and a molecular weight of 374.57 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol
PubChem CID134836062
Molecular FormulaC22H31FO2Si
Molecular Weight374.57 g/mol
Exact Mass374.21
IUPAC Name(3-fluorophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol
SMILESCC(C)[Si](Oc1ccc(C(O)c2cccc(F)c2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C22H31FO2Si/c1-15(2)26(16(3)4,17(5)6)25-21-12-10-18(11-13-21)22(24)19-8-7-9-20(23)14-19/h7-17,22,24H,1-6H3
InChIKeyUBTLMGSKOCDTMH-UHFFFAOYSA-N
XLogP6.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 56.46
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 (3-fluorophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol?
The IUPAC name of (3-fluorophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol (CID 134836062) is (3-fluorophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol.
What is the SMILES notation for (3-fluorophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol?
The canonical SMILES for (3-fluorophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol is CC(C)[Si](Oc1ccc(C(O)c2cccc(F)c2)cc1)(C(C)C)C(C)C.
What is the InChIKey of (3-fluorophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol?
The InChIKey is UBTLMGSKOCDTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FO2Si/c1-15(2)26(16(3)4,17(5)6)25-21-12-10-18(11-13-21)22(24)19-8-7-9-20(23)14-19/h7-17,22,24H,1-6H3.
What are the key properties of (3-fluorophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol?
(3-fluorophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol has a molecular weight of 374.57 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol is sourced from PubChem (CID 134836062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).