2-[hydroxy-(2-methoxyphenyl)methyl]-2-trimethylsilyloxycyclobutan-1-one

C15H22O4Si — CID 101203203

IUPAC2-[hydroxy-(2-methoxyphenyl)methyl]-2-trimethylsilyloxycyclobutan-1-one
SMILESCOc1ccccc1C(O)C1(O[Si](C)(C)C)CCC1=O
InChIInChI=1S/C15H22O4Si/c1-18-12-8-6-5-7-11(12)14(17)15(10-9-13(15)16)19-20(2,3)4/h5-8,14,17H,9-10H2,1-4H3
InChIKeyFZWREESUUIQJNN-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.68
Rot. Bonds5

About 2-[hydroxy-(2-methoxyphenyl)methyl]-2-trimethylsilyloxycyclobutan-1-one

2-[hydroxy-(2-methoxyphenyl)methyl]-2-trimethylsilyloxycyclobutan-1-one (PubChem CID 101203203) has the molecular formula C15H22O4Si and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[hydroxy-(2-methoxyphenyl)methyl]-2-trimethylsilyloxycyclobutan-1-one.

Molecular Properties

Compound Name2-[hydroxy-(2-methoxyphenyl)methyl]-2-trimethylsilyloxycyclobutan-1-one
PubChem CID101203203
Molecular FormulaC15H22O4Si
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Name2-[hydroxy-(2-methoxyphenyl)methyl]-2-trimethylsilyloxycyclobutan-1-one
SMILESCOc1ccccc1C(O)C1(O[Si](C)(C)C)CCC1=O
InChIInChI=1S/C15H22O4Si/c1-18-12-8-6-5-7-11(12)14(17)15(10-9-13(15)16)19-20(2,3)4/h5-8,14,17H,9-10H2,1-4H3
InChIKeyFZWREESUUIQJNN-UHFFFAOYSA-N
XLogP2.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[phenyl(trimethylsilyloxy)methyl]-2-trimethylsilyloxycyclobutan-1-one
CID 13088111
4-[hydroxy-(2-methoxyphenyl)methyl]oxane-4-carbonitrile
CID 79129672
1-adamantyl-(2-methoxyphenyl)methanol
CID 63410949
1-chloro-1-(2-methoxyphenyl)propan-2-ol
CID 69345469
2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one
CID 132822025
(5-fluoro-2-methoxyphenyl)-(1-phenylcyclopropyl)methanol
CID 62881250
(2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol
CID 114978827
1-[(2,3-dimethoxyphenyl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile
CID 79124724
1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol
CID 103456830
(4-iodophenyl)-(2-methoxyphenyl)methanol
CID 114978781
(2,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol
CID 106828269
1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452335

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(2-methoxyphenyl)methyl]-2-trimethylsilyloxycyclobutan-1-one?
The IUPAC name of 2-[hydroxy-(2-methoxyphenyl)methyl]-2-trimethylsilyloxycyclobutan-1-one (CID 101203203) is 2-[hydroxy-(2-methoxyphenyl)methyl]-2-trimethylsilyloxycyclobutan-1-one.
What is the SMILES notation for 2-[hydroxy-(2-methoxyphenyl)methyl]-2-trimethylsilyloxycyclobutan-1-one?
The canonical SMILES for 2-[hydroxy-(2-methoxyphenyl)methyl]-2-trimethylsilyloxycyclobutan-1-one is COc1ccccc1C(O)C1(O[Si](C)(C)C)CCC1=O.
What is the InChIKey of 2-[hydroxy-(2-methoxyphenyl)methyl]-2-trimethylsilyloxycyclobutan-1-one?
The InChIKey is FZWREESUUIQJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4Si/c1-18-12-8-6-5-7-11(12)14(17)15(10-9-13(15)16)19-20(2,3)4/h5-8,14,17H,9-10H2,1-4H3.
What are the key properties of 2-[hydroxy-(2-methoxyphenyl)methyl]-2-trimethylsilyloxycyclobutan-1-one?
2-[hydroxy-(2-methoxyphenyl)methyl]-2-trimethylsilyloxycyclobutan-1-one has a molecular weight of 294.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(2-methoxyphenyl)methyl]-2-trimethylsilyloxycyclobutan-1-one is sourced from PubChem (CID 101203203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).