1-bromo-2-(3-methoxyphenyl)-3-trimethylsilylpropan-2-ol

C13H21BrO2Si — CID 19086821

IUPAC1-bromo-2-(3-methoxyphenyl)-3-trimethylsilylpropan-2-ol
SMILESCOc1cccc(C(O)(CBr)C[Si](C)(C)C)c1
InChIInChI=1S/C13H21BrO2Si/c1-16-12-7-5-6-11(8-12)13(15,9-14)10-17(2,3)4/h5-8,15H,9-10H2,1-4H3
InChIKeyZGPWPFUWXALLES-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.62
Rot. Bonds5

About 1-bromo-2-(3-methoxyphenyl)-3-trimethylsilylpropan-2-ol

1-bromo-2-(3-methoxyphenyl)-3-trimethylsilylpropan-2-ol (PubChem CID 19086821) has the molecular formula C13H21BrO2Si and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-bromo-2-(3-methoxyphenyl)-3-trimethylsilylpropan-2-ol.

Molecular Properties

Compound Name1-bromo-2-(3-methoxyphenyl)-3-trimethylsilylpropan-2-ol
PubChem CID19086821
Molecular FormulaC13H21BrO2Si
Molecular Weight317.30 g/mol
Exact Mass316.05
IUPAC Name1-bromo-2-(3-methoxyphenyl)-3-trimethylsilylpropan-2-ol
SMILESCOc1cccc(C(O)(CBr)C[Si](C)(C)C)c1
InChIInChI=1S/C13H21BrO2Si/c1-16-12-7-5-6-11(8-12)13(15,9-14)10-17(2,3)4/h5-8,15H,9-10H2,1-4H3
InChIKeyZGPWPFUWXALLES-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol
CID 102581302
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CID 101270093
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
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CID 29415940
3-(3-methoxyphenyl)-1-(methylamino)hexan-3-ol
CID 23459532
2-(3-methoxyphenyl)-3-methylhexan-2-ol
CID 107892511
bis(3-methoxyphenyl)-(4-methylphenyl)methanol
CID 2758428
2-bromo-2-(3-methoxyphenyl)propanoic acid
CID 19795685
2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(3-methoxyphenyl)-3-trimethylsilylpropan-2-ol?
The IUPAC name of 1-bromo-2-(3-methoxyphenyl)-3-trimethylsilylpropan-2-ol (CID 19086821) is 1-bromo-2-(3-methoxyphenyl)-3-trimethylsilylpropan-2-ol.
What is the SMILES notation for 1-bromo-2-(3-methoxyphenyl)-3-trimethylsilylpropan-2-ol?
The canonical SMILES for 1-bromo-2-(3-methoxyphenyl)-3-trimethylsilylpropan-2-ol is COc1cccc(C(O)(CBr)C[Si](C)(C)C)c1.
What is the InChIKey of 1-bromo-2-(3-methoxyphenyl)-3-trimethylsilylpropan-2-ol?
The InChIKey is ZGPWPFUWXALLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrO2Si/c1-16-12-7-5-6-11(8-12)13(15,9-14)10-17(2,3)4/h5-8,15H,9-10H2,1-4H3.
What are the key properties of 1-bromo-2-(3-methoxyphenyl)-3-trimethylsilylpropan-2-ol?
1-bromo-2-(3-methoxyphenyl)-3-trimethylsilylpropan-2-ol has a molecular weight of 317.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(3-methoxyphenyl)-3-trimethylsilylpropan-2-ol is sourced from PubChem (CID 19086821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).