2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone

C19H23O5P — CID 25146988

IUPAC2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone
SMILESCCOP(=O)(OCC)c1cc(OC)ccc1CC(=O)c1ccccc1
InChIInChI=1S/C19H23O5P/c1-4-23-25(21,24-5-2)19-14-17(22-3)12-11-16(19)13-18(20)15-9-7-6-8-10-15/h6-12,14H,4-5,13H2,1-3H3
InChIKeyQWNYIFNFHNQUEQ-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.01
Rot. Bonds9

About 2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone

2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone (PubChem CID 25146988) has the molecular formula C19H23O5P and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone
PubChem CID25146988
Molecular FormulaC19H23O5P
Molecular Weight362.36 g/mol
Exact Mass362.13
IUPAC Name2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone
SMILESCCOP(=O)(OCC)c1cc(OC)ccc1CC(=O)c1ccccc1
InChIInChI=1S/C19H23O5P/c1-4-23-25(21,24-5-2)19-14-17(22-3)12-11-16(19)13-18(20)15-9-7-6-8-10-15/h6-12,14H,4-5,13H2,1-3H3
InChIKeyQWNYIFNFHNQUEQ-UHFFFAOYSA-N
XLogP4.01
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
2-diethoxyphosphoryl-4-methoxyaniline
CID 166610106
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
3-(2-bromo-5-methoxyphenyl)-1-phenylpropan-1-one
CID 11392992
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 11414548
anisole;1-phenylpropan-1-one;propan-2-one
CID 174786879
[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate
CID 10319264
2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
CID 929448
1-phenyl-2-(2,3,4-trimethoxyphenyl)ethanone
CID 10108046
methyl 2,4-dimethoxy-6-phenacylbenzoate
CID 10358262
2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone
CID 116595979

Frequently Asked Questions

What is the IUPAC name of 2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone?
The IUPAC name of 2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone (CID 25146988) is 2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone.
What is the SMILES notation for 2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone?
The canonical SMILES for 2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone is CCOP(=O)(OCC)c1cc(OC)ccc1CC(=O)c1ccccc1.
What is the InChIKey of 2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone?
The InChIKey is QWNYIFNFHNQUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O5P/c1-4-23-25(21,24-5-2)19-14-17(22-3)12-11-16(19)13-18(20)15-9-7-6-8-10-15/h6-12,14H,4-5,13H2,1-3H3.
What are the key properties of 2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone?
2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone has a molecular weight of 362.36 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone is sourced from PubChem (CID 25146988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).