2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone

C28H25O4P — CID 155683528

IUPAC2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone
SMILESCOc1ccc(P(=O)(c2ccc(OC)cc2)C(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25O4P/c1-31-23-13-17-25(18-14-23)33(30,26-19-15-24(32-2)16-20-26)28(22-11-7-4-8-12-22)27(29)21-9-5-3-6-10-21/h3-20,28H,1-2H3
InChIKeyFFCIUVIOXNEPQC-UHFFFAOYSA-N
MW456.48 g/mol
LogP5.64
Rot. Bonds8

About 2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone

2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone (PubChem CID 155683528) has the molecular formula C28H25O4P and a molecular weight of 456.48 g/mol. Its IUPAC name is 2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone.

Molecular Properties

Compound Name2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone
PubChem CID155683528
Molecular FormulaC28H25O4P
Molecular Weight456.48 g/mol
Exact Mass456.15
IUPAC Name2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone
SMILESCOc1ccc(P(=O)(c2ccc(OC)cc2)C(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25O4P/c1-31-23-13-17-25(18-14-23)33(30,26-19-15-24(32-2)16-20-26)28(22-11-7-4-8-12-22)27(29)21-9-5-3-6-10-21/h3-20,28H,1-2H3
InChIKeyFFCIUVIOXNEPQC-UHFFFAOYSA-N
XLogP5.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.48
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 101399397
2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one
CID 13203114
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
2-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylbutane-1,4-dione
CID 122221336
(3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 135057690
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480
2,3-bis[(4-methoxyphenyl)methyl]-1,4-diphenylbutane-1,4-dione
CID 14434324
2-isocyano-1-(4-methoxyphenyl)-2-phenylethanone
CID 140853508
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene
CID 11002796
(2S)-3-(4-methoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 682096
3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one
CID 54202264

Frequently Asked Questions

What is the IUPAC name of 2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone?
The IUPAC name of 2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone (CID 155683528) is 2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone.
What is the SMILES notation for 2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone?
The canonical SMILES for 2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone is COc1ccc(P(=O)(c2ccc(OC)cc2)C(C(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone?
The InChIKey is FFCIUVIOXNEPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25O4P/c1-31-23-13-17-25(18-14-23)33(30,26-19-15-24(32-2)16-20-26)28(22-11-7-4-8-12-22)27(29)21-9-5-3-6-10-21/h3-20,28H,1-2H3.
What are the key properties of 2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone?
2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone has a molecular weight of 456.48 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone is sourced from PubChem (CID 155683528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).