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

C17H30O3Si — CID 176638011

IUPAC[4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol
SMILESCCCCOc1ccc(CO)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-7-8-11-19-15-10-9-14(13-18)12-16(15)20-21(5,6)17(2,3)4/h9-10,12,18H,7-8,11,13H2,1-6H3
InChIKeyXJEQYZPHUPCCCU-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.74
Rot. Bonds7

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

[4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol (PubChem CID 176638011) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is [4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol.

Molecular Properties

Compound Name[4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol
PubChem CID176638011
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Name[4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol
SMILESCCCCOc1ccc(CO)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-7-8-11-19-15-10-9-14(13-18)12-16(15)20-21(5,6)17(2,3)4/h9-10,12,18H,7-8,11,13H2,1-6H3
InChIKeyXJEQYZPHUPCCCU-UHFFFAOYSA-N
XLogP4.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]methanol
CID 139943085
[3,4-di(nonoxy)phenyl]methanol
CID 143615493
[4-hexoxy-3-[12-[2-hexoxy-5-(hydroxymethyl)phenoxy]dodecoxy]phenyl]methanol
CID 71341806
[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
CID 61035977
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
(4-butoxy-3-methoxyphenyl)methyl-(1-hydroxy-2-methylpropan-2-yl)azanium
CID 2217236
3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]propanoic acid
CID 11015109
[3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol
CID 68503107
(3-chloro-4-nonoxyphenyl)methanol
CID 63533386
[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol
CID 143066572
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728
tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane
CID 91180185

Frequently Asked Questions

What is the IUPAC name of [4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol?
The IUPAC name of [4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol (CID 176638011) is [4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol.
What is the SMILES notation for [4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol?
The canonical SMILES for [4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol is CCCCOc1ccc(CO)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol?
The InChIKey is XJEQYZPHUPCCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-7-8-11-19-15-10-9-14(13-18)12-16(15)20-21(5,6)17(2,3)4/h9-10,12,18H,7-8,11,13H2,1-6H3.
What are the key properties of [4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol?
[4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol has a molecular weight of 310.51 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol is sourced from PubChem (CID 176638011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).