[1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate

C17H19O6P — CID 46198272

IUPAC[1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate
SMILESCOc1ccccc1C(OP(=O)(OC)OC)C(=O)c1ccccc1
InChIInChI=1S/C17H19O6P/c1-20-15-12-8-7-11-14(15)17(23-24(19,21-2)22-3)16(18)13-9-5-4-6-10-13/h4-12,17H,1-3H3
InChIKeyFRIYFTIRZMEDDJ-UHFFFAOYSA-N
MW350.31 g/mol
LogP4.04
Rot. Bonds8

About [1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate

[1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate (PubChem CID 46198272) has the molecular formula C17H19O6P and a molecular weight of 350.31 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate
PubChem CID46198272
Molecular FormulaC17H19O6P
Molecular Weight350.31 g/mol
Exact Mass350.09
IUPAC Name[1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate
SMILESCOc1ccccc1C(OP(=O)(OC)OC)C(=O)c1ccccc1
InChIInChI=1S/C17H19O6P/c1-20-15-12-8-7-11-14(15)17(23-24(19,21-2)22-3)16(18)13-9-5-4-6-10-13/h4-12,17H,1-3H3
InChIKeyFRIYFTIRZMEDDJ-UHFFFAOYSA-N
XLogP4.04
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate
CID 132992304
[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate
CID 10319264
(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid
CID 129386979
2-methoxy-2-(2-methylphenyl)-1-phenylethanone
CID 71321553
1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one
CID 69180019
1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone
CID 102130083
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
2-[1-(2-methoxyphenyl)-2-nitroethyl]-1,3-diphenylpropane-1,3-dione
CID 66625024
2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone
CID 166442123
(2S)-2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone
CID 125471761
methyl 2-aminooxy-2-(2-methoxyphenyl)acetate
CID 105464749
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate?
The IUPAC name of [1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate (CID 46198272) is [1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate.
What is the SMILES notation for [1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate?
The canonical SMILES for [1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate is COc1ccccc1C(OP(=O)(OC)OC)C(=O)c1ccccc1.
What is the InChIKey of [1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate?
The InChIKey is FRIYFTIRZMEDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O6P/c1-20-15-12-8-7-11-14(15)17(23-24(19,21-2)22-3)16(18)13-9-5-4-6-10-13/h4-12,17H,1-3H3.
What are the key properties of [1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate?
[1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate has a molecular weight of 350.31 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate is sourced from PubChem (CID 46198272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).