(2-bromophenyl)-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]methanol

C21H29BrO2Si — CID 102380475

IUPAC(2-bromophenyl)-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]methanol
SMILESCc1cc(C(O)c2ccccc2Br)cc(C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H29BrO2Si/c1-14-12-16(19(23)17-10-8-9-11-18(17)22)13-15(2)20(14)24-25(6,7)21(3,4)5/h8-13,19,23H,1-7H3
InChIKeyGKNRZLXRDLCJCG-UHFFFAOYSA-N
MW421.45 g/mol
LogP6.53
Rot. Bonds4

About (2-bromophenyl)-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]methanol

(2-bromophenyl)-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]methanol (PubChem CID 102380475) has the molecular formula C21H29BrO2Si and a molecular weight of 421.45 g/mol. Its IUPAC name is (2-bromophenyl)-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]methanol.

Molecular Properties

Compound Name(2-bromophenyl)-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]methanol
PubChem CID102380475
Molecular FormulaC21H29BrO2Si
Molecular Weight421.45 g/mol
Exact Mass420.11
IUPAC Name(2-bromophenyl)-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]methanol
SMILESCc1cc(C(O)c2ccccc2Br)cc(C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H29BrO2Si/c1-14-12-16(19(23)17-10-8-9-11-18(17)22)13-15(2)20(14)24-25(6,7)21(3,4)5/h8-13,19,23H,1-7H3
InChIKeyGKNRZLXRDLCJCG-UHFFFAOYSA-N
XLogP6.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.45
LogP ≤ 56.53
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 (2-bromophenyl)-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]methanol?
The IUPAC name of (2-bromophenyl)-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]methanol (CID 102380475) is (2-bromophenyl)-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]methanol.
What is the SMILES notation for (2-bromophenyl)-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]methanol?
The canonical SMILES for (2-bromophenyl)-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]methanol is Cc1cc(C(O)c2ccccc2Br)cc(C)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2-bromophenyl)-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]methanol?
The InChIKey is GKNRZLXRDLCJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29BrO2Si/c1-14-12-16(19(23)17-10-8-9-11-18(17)22)13-15(2)20(14)24-25(6,7)21(3,4)5/h8-13,19,23H,1-7H3.
What are the key properties of (2-bromophenyl)-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]methanol?
(2-bromophenyl)-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]methanol has a molecular weight of 421.45 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]methanol is sourced from PubChem (CID 102380475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).