(1S)-1-[3-(4-methylphenyl)furan-2-yl]-2-trimethylsilylethanol

C16H22O2Si — CID 101167264

IUPAC(1S)-1-[3-(4-methylphenyl)furan-2-yl]-2-trimethylsilylethanol
SMILESCc1ccc(-c2ccoc2[C@H](O)C[Si](C)(C)C)cc1
InChIInChI=1S/C16H22O2Si/c1-12-5-7-13(8-6-12)14-9-10-18-16(14)15(17)11-19(2,3)4/h5-10,15,17H,11H2,1-4H3/t15-/m1/s1
InChIKeyUWZHEIWZAVHDHJ-OAHLLOKOSA-N
MW274.44 g/mol
LogP4.63
Rot. Bonds4

About (1S)-1-[3-(4-methylphenyl)furan-2-yl]-2-trimethylsilylethanol

(1S)-1-[3-(4-methylphenyl)furan-2-yl]-2-trimethylsilylethanol (PubChem CID 101167264) has the molecular formula C16H22O2Si and a molecular weight of 274.44 g/mol. Its IUPAC name is (1S)-1-[3-(4-methylphenyl)furan-2-yl]-2-trimethylsilylethanol.

Molecular Properties

Compound Name(1S)-1-[3-(4-methylphenyl)furan-2-yl]-2-trimethylsilylethanol
PubChem CID101167264
Molecular FormulaC16H22O2Si
Molecular Weight274.44 g/mol
Exact Mass274.14
IUPAC Name(1S)-1-[3-(4-methylphenyl)furan-2-yl]-2-trimethylsilylethanol
SMILESCc1ccc(-c2ccoc2[C@H](O)C[Si](C)(C)C)cc1
InChIInChI=1S/C16H22O2Si/c1-12-5-7-13(8-6-12)14-9-10-18-16(14)15(17)11-19(2,3)4/h5-10,15,17H,11H2,1-4H3/t15-/m1/s1
InChIKeyUWZHEIWZAVHDHJ-OAHLLOKOSA-N
XLogP4.63
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1S)-1-[3-(4-methylphenyl)furan-2-yl]-2-trimethylsilylethanol?
The IUPAC name of (1S)-1-[3-(4-methylphenyl)furan-2-yl]-2-trimethylsilylethanol (CID 101167264) is (1S)-1-[3-(4-methylphenyl)furan-2-yl]-2-trimethylsilylethanol.
What is the SMILES notation for (1S)-1-[3-(4-methylphenyl)furan-2-yl]-2-trimethylsilylethanol?
The canonical SMILES for (1S)-1-[3-(4-methylphenyl)furan-2-yl]-2-trimethylsilylethanol is Cc1ccc(-c2ccoc2[C@H](O)C[Si](C)(C)C)cc1.
What is the InChIKey of (1S)-1-[3-(4-methylphenyl)furan-2-yl]-2-trimethylsilylethanol?
The InChIKey is UWZHEIWZAVHDHJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22O2Si/c1-12-5-7-13(8-6-12)14-9-10-18-16(14)15(17)11-19(2,3)4/h5-10,15,17H,11H2,1-4H3/t15-/m1/s1.
What are the key properties of (1S)-1-[3-(4-methylphenyl)furan-2-yl]-2-trimethylsilylethanol?
(1S)-1-[3-(4-methylphenyl)furan-2-yl]-2-trimethylsilylethanol has a molecular weight of 274.44 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(4-methylphenyl)furan-2-yl]-2-trimethylsilylethanol is sourced from PubChem (CID 101167264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).