1-(2-diphenylphosphanylphenyl)-2-phenylethanone

C26H21OP — CID 59804946

IUPAC1-(2-diphenylphosphanylphenyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21OP/c27-25(20-21-12-4-1-5-13-21)24-18-10-11-19-26(24)28(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19H,20H2
InChIKeyPEYHOXSBOVNAEH-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.87
Rot. Bonds6

About 1-(2-diphenylphosphanylphenyl)-2-phenylethanone

1-(2-diphenylphosphanylphenyl)-2-phenylethanone (PubChem CID 59804946) has the molecular formula C26H21OP and a molecular weight of 380.43 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylphenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-diphenylphosphanylphenyl)-2-phenylethanone
PubChem CID59804946
Molecular FormulaC26H21OP
Molecular Weight380.43 g/mol
Exact Mass380.13
IUPAC Name1-(2-diphenylphosphanylphenyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21OP/c27-25(20-21-12-4-1-5-13-21)24-18-10-11-19-26(24)28(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19H,20H2
InChIKeyPEYHOXSBOVNAEH-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride
CID 10190846
1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one
CID 146507667
1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium
CID 175984938
2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide
CID 5242066
2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid
CID 101007725
1,3-diphenyl(213C)propan-2-one
CID 100945080
(2-diphenylphosphanylphenyl)methyl-hydroxy-oxophosphanium
CID 22447243
[(3S)-2-methylpent-1-en-3-yl] 2-diphenylphosphanylbenzoate
CID 102426255
2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 149362786
butyl 2-diphenylphosphanylbenzoate
CID 87329990
N-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide
CID 51041221
lithium (2-diphenylphosphanylphenyl)methanolate
CID 102445042

Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphanylphenyl)-2-phenylethanone?
The IUPAC name of 1-(2-diphenylphosphanylphenyl)-2-phenylethanone (CID 59804946) is 1-(2-diphenylphosphanylphenyl)-2-phenylethanone.
What is the SMILES notation for 1-(2-diphenylphosphanylphenyl)-2-phenylethanone?
The canonical SMILES for 1-(2-diphenylphosphanylphenyl)-2-phenylethanone is O=C(Cc1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-diphenylphosphanylphenyl)-2-phenylethanone?
The InChIKey is PEYHOXSBOVNAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21OP/c27-25(20-21-12-4-1-5-13-21)24-18-10-11-19-26(24)28(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19H,20H2.
What are the key properties of 1-(2-diphenylphosphanylphenyl)-2-phenylethanone?
1-(2-diphenylphosphanylphenyl)-2-phenylethanone has a molecular weight of 380.43 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphanylphenyl)-2-phenylethanone is sourced from PubChem (CID 59804946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).