1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol

C13H17BrOSi — CID 10334774

IUPAC1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol
SMILESC[Si](C)(C)C#CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrOSi/c1-16(2,3)10-4-5-13(15)11-6-8-12(14)9-7-11/h6-9,13,15H,5H2,1-3H3
InChIKeyHAZJTNFVJTXGSW-UHFFFAOYSA-N
MW297.27 g/mol
LogP3.75
Rot. Bonds2

About 1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol

1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol (PubChem CID 10334774) has the molecular formula C13H17BrOSi and a molecular weight of 297.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol
PubChem CID10334774
Molecular FormulaC13H17BrOSi
Molecular Weight297.27 g/mol
Exact Mass296.02
IUPAC Name1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol
SMILESC[Si](C)(C)C#CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrOSi/c1-16(2,3)10-4-5-13(15)11-6-8-12(14)9-7-11/h6-9,13,15H,5H2,1-3H3
InChIKeyHAZJTNFVJTXGSW-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol
CID 134861734
5-trimethylsilylpent-4-yn-2-ol
CID 11073669
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
3-(4-bromophenyl)-3-hydroxypropanoic acid
CID 11579638
(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709
(2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine
CID 162405243
(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971
3-(4-bromophenyl)-3-hydroxypropanamide
CID 11514276
1-(4-methylphenyl)pent-3-yn-1-ol
CID 15001308
1-(4-bromophenyl)-4,4-dimethylpentan-1-ol
CID 62608151
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
(3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 130831196

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol?
The IUPAC name of 1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol (CID 10334774) is 1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol is C[Si](C)(C)C#CCC(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol?
The InChIKey is HAZJTNFVJTXGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrOSi/c1-16(2,3)10-4-5-13(15)11-6-8-12(14)9-7-11/h6-9,13,15H,5H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol?
1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol has a molecular weight of 297.27 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol is sourced from PubChem (CID 10334774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).