[2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol

C19H35BrO3Si2 — CID 169448639

IUPAC[2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol
SMILESCC(C)(C)[Si](C)(C)Oc1cc(CO)c(Br)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C19H35BrO3Si2/c1-18(2,3)24(7,8)22-15-11-14(13-21)17(20)16(12-15)23-25(9,10)19(4,5)6/h11-12,21H,13H2,1-10H3
InChIKeyKDLPLDCKOJRSEO-UHFFFAOYSA-N
MW447.56 g/mol
LogP6.71
Rot. Bonds5

About [2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol

[2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol (PubChem CID 169448639) has the molecular formula C19H35BrO3Si2 and a molecular weight of 447.56 g/mol. Its IUPAC name is [2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol
PubChem CID169448639
Molecular FormulaC19H35BrO3Si2
Molecular Weight447.56 g/mol
Exact Mass446.13
IUPAC Name[2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol
SMILESCC(C)(C)[Si](C)(C)Oc1cc(CO)c(Br)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C19H35BrO3Si2/c1-18(2,3)24(7,8)22-15-11-14(13-21)17(20)16(12-15)23-25(9,10)19(4,5)6/h11-12,21H,13H2,1-10H3
InChIKeyKDLPLDCKOJRSEO-UHFFFAOYSA-N
XLogP6.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 56.71
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-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol?
The IUPAC name of [2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol (CID 169448639) is [2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol.
What is the SMILES notation for [2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol?
The canonical SMILES for [2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol is CC(C)(C)[Si](C)(C)Oc1cc(CO)c(Br)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of [2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol?
The InChIKey is KDLPLDCKOJRSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35BrO3Si2/c1-18(2,3)24(7,8)22-15-11-14(13-21)17(20)16(12-15)23-25(9,10)19(4,5)6/h11-12,21H,13H2,1-10H3.
What are the key properties of [2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol?
[2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol has a molecular weight of 447.56 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol is sourced from PubChem (CID 169448639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).