(1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol

C14H20O2Si — CID 134861734

IUPAC(1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol
SMILESCOc1ccc([C@@H](O)CC#C[Si](C)(C)C)cc1
InChIInChI=1S/C14H20O2Si/c1-16-13-9-7-12(8-10-13)14(15)6-5-11-17(2,3)4/h7-10,14-15H,6H2,1-4H3/t14-/m0/s1
InChIKeySPOGUYMORVEPFD-AWEZNQCLSA-N
MW248.40 g/mol
LogP3.00
Rot. Bonds3

About (1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol

(1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol (PubChem CID 134861734) has the molecular formula C14H20O2Si and a molecular weight of 248.40 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol
PubChem CID134861734
Molecular FormulaC14H20O2Si
Molecular Weight248.40 g/mol
Exact Mass248.12
IUPAC Name(1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol
SMILESCOc1ccc([C@@H](O)CC#C[Si](C)(C)C)cc1
InChIInChI=1S/C14H20O2Si/c1-16-13-9-7-12(8-10-13)14(15)6-5-11-17(2,3)4/h7-10,14-15H,6H2,1-4H3/t14-/m0/s1
InChIKeySPOGUYMORVEPFD-AWEZNQCLSA-N
XLogP3.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol
CID 11572126
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823
4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol
CID 24769801
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
1-(4-iodophenyl)-2-(4-methoxyphenyl)ethanol
CID 55149346
4-hydroxy-4-(4-methoxyphenyl)-2-oxobutanoic acid
CID 102408394
2-[ethyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60972520
3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol
CID 103027413
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol?
The IUPAC name of (1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol (CID 134861734) is (1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol is COc1ccc([C@@H](O)CC#C[Si](C)(C)C)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol?
The InChIKey is SPOGUYMORVEPFD-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20O2Si/c1-16-13-9-7-12(8-10-13)14(15)6-5-11-17(2,3)4/h7-10,14-15H,6H2,1-4H3/t14-/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol?
(1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol has a molecular weight of 248.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol is sourced from PubChem (CID 134861734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).