2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one

C22H21O3P — CID 13203114

IUPAC2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21O3P/c1-17(22(23)18-13-15-19(25-2)16-14-18)26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,1-2H3
InChIKeyLBICHIAVPINBOW-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.28
Rot. Bonds6

About 2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one

2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one (PubChem CID 13203114) has the molecular formula C22H21O3P and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one
PubChem CID13203114
Molecular FormulaC22H21O3P
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21O3P/c1-17(22(23)18-13-15-19(25-2)16-14-18)26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,1-2H3
InChIKeyLBICHIAVPINBOW-UHFFFAOYSA-N
XLogP4.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphoryl-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-one
CID 13203116
2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone
CID 155683528
(3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 135057690
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480
(1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol
CID 13152614
1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 101399397
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene
CID 11002796
(2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one
CID 2571565
(2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one
CID 10635675
3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one
CID 54202264

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one (CID 13203114) is 2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is LBICHIAVPINBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21O3P/c1-17(22(23)18-13-15-19(25-2)16-14-18)26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,1-2H3.
What are the key properties of 2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one?
2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 364.38 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 13203114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).