1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol

C13H18O2Si — CID 15531429

IUPAC1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol
SMILESCOc1cccc(C(O)C#C[Si](C)(C)C)c1
InChIInChI=1S/C13H18O2Si/c1-15-12-7-5-6-11(10-12)13(14)8-9-16(2,3)4/h5-7,10,13-14H,1-4H3
InChIKeyHPMQSKSIDUODDU-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.61
Rot. Bonds2

About 1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol

1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 15531429) has the molecular formula C13H18O2Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol
PubChem CID15531429
Molecular FormulaC13H18O2Si
Molecular Weight234.37 g/mol
Exact Mass234.11
IUPAC Name1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol
SMILESCOc1cccc(C(O)C#C[Si](C)(C)C)c1
InChIInChI=1S/C13H18O2Si/c1-15-12-7-5-6-11(10-12)13(14)8-9-16(2,3)4/h5-7,10,13-14H,1-4H3
InChIKeyHPMQSKSIDUODDU-UHFFFAOYSA-N
XLogP2.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.61
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

(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
(1S)-1-naphthalen-2-yl-3-trimethylsilylprop-2-yn-1-ol
CID 24851555
(3R)-5-(3-methoxyphenyl)-1-trimethylsilylpent-1-yn-3-ol
CID 102277509
2-hydroxy-2-[3-(3-methoxyphenoxy)phenyl]acetonitrile
CID 54380272
[(4S)-4-hydroxy-4-(3-methoxyphenyl)but-2-ynyl] acetate
CID 154708366
[(1R)-1-(3-methoxyphenyl)ethyl]-trimethylsilane
CID 132551583
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79189676
(2,5-dibromophenyl)-(3-methoxyphenyl)methanol
CID 61100755
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol?
The IUPAC name of 1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol (CID 15531429) is 1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol?
The canonical SMILES for 1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol is COc1cccc(C(O)C#C[Si](C)(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol?
The InChIKey is HPMQSKSIDUODDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2Si/c1-15-12-7-5-6-11(10-12)13(14)8-9-16(2,3)4/h5-7,10,13-14H,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol?
1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 234.37 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 15531429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).