2-hydroxy-2-methyl-1-(4-phenoxyphenyl)-3-trimethylsilyloxypropan-1-one

C19H24O4Si — CID 19878471

IUPAC2-hydroxy-2-methyl-1-(4-phenoxyphenyl)-3-trimethylsilyloxypropan-1-one
SMILESCC(O)(CO[Si](C)(C)C)C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H24O4Si/c1-19(21,14-22-24(2,3)4)18(20)15-10-12-17(13-11-15)23-16-8-6-5-7-9-16/h5-13,21H,14H2,1-4H3
InChIKeyBZPBSSRTECYOSV-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.26
Rot. Bonds7

About 2-hydroxy-2-methyl-1-(4-phenoxyphenyl)-3-trimethylsilyloxypropan-1-one

2-hydroxy-2-methyl-1-(4-phenoxyphenyl)-3-trimethylsilyloxypropan-1-one (PubChem CID 19878471) has the molecular formula C19H24O4Si and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(4-phenoxyphenyl)-3-trimethylsilyloxypropan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(4-phenoxyphenyl)-3-trimethylsilyloxypropan-1-one
PubChem CID19878471
Molecular FormulaC19H24O4Si
Molecular Weight344.48 g/mol
Exact Mass344.14
IUPAC Name2-hydroxy-2-methyl-1-(4-phenoxyphenyl)-3-trimethylsilyloxypropan-1-one
SMILESCC(O)(CO[Si](C)(C)C)C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H24O4Si/c1-19(21,14-22-24(2,3)4)18(20)15-10-12-17(13-11-15)23-16-8-6-5-7-9-16/h5-13,21H,14H2,1-4H3
InChIKeyBZPBSSRTECYOSV-UHFFFAOYSA-N
XLogP4.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.26
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

4-[4-(2-ethyl-2-methylbutanoyl)phenoxy]benzoic acid
CID 70962727
4-phenoxybenzoic acid;hydrochloride
CID 70385625
2,2-diamino-1-(4-phenoxyphenyl)butane-1,3-dione
CID 90695986
2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one
CID 19878495
phenoxybenzene;propane-2,2-diol
CID 174556232
3-oxo-3-(4-phenoxyphenyl)-2,2-bis(sulfanyl)propanoic acid
CID 88840278
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
4-tert-butyl-N'-(4-phenoxybenzoyl)benzohydrazide
CID 7980024
2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 90092001
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
4-(4-phenoxyphenoxy)benzoyl fluoride
CID 19017949
4-phenoxybenzoyl bromide
CID 116924551

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-(4-phenoxyphenyl)-3-trimethylsilyloxypropan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(4-phenoxyphenyl)-3-trimethylsilyloxypropan-1-one (CID 19878471) is 2-hydroxy-2-methyl-1-(4-phenoxyphenyl)-3-trimethylsilyloxypropan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(4-phenoxyphenyl)-3-trimethylsilyloxypropan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(4-phenoxyphenyl)-3-trimethylsilyloxypropan-1-one is CC(O)(CO[Si](C)(C)C)C(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-1-(4-phenoxyphenyl)-3-trimethylsilyloxypropan-1-one?
The InChIKey is BZPBSSRTECYOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4Si/c1-19(21,14-22-24(2,3)4)18(20)15-10-12-17(13-11-15)23-16-8-6-5-7-9-16/h5-13,21H,14H2,1-4H3.
What are the key properties of 2-hydroxy-2-methyl-1-(4-phenoxyphenyl)-3-trimethylsilyloxypropan-1-one?
2-hydroxy-2-methyl-1-(4-phenoxyphenyl)-3-trimethylsilyloxypropan-1-one has a molecular weight of 344.48 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(4-phenoxyphenyl)-3-trimethylsilyloxypropan-1-one is sourced from PubChem (CID 19878471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).