diphenylphosphoryl-(3-methylphenyl)methanone

C20H17O2P — CID 57182272

IUPACdiphenylphosphoryl-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H17O2P/c1-16-9-8-10-17(15-16)20(21)23(22,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15H,1H3
InChIKeyWQSINLAHCCXNFY-UHFFFAOYSA-N
MW320.33 g/mol
LogP4.15
Rot. Bonds4

About diphenylphosphoryl-(3-methylphenyl)methanone

diphenylphosphoryl-(3-methylphenyl)methanone (PubChem CID 57182272) has the molecular formula C20H17O2P and a molecular weight of 320.33 g/mol. Its IUPAC name is diphenylphosphoryl-(3-methylphenyl)methanone.

Molecular Properties

Compound Namediphenylphosphoryl-(3-methylphenyl)methanone
PubChem CID57182272
Molecular FormulaC20H17O2P
Molecular Weight320.33 g/mol
Exact Mass320.10
IUPAC Namediphenylphosphoryl-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H17O2P/c1-16-9-8-10-17(15-16)20(21)23(22,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15H,1H3
InChIKeyWQSINLAHCCXNFY-UHFFFAOYSA-N
XLogP4.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylbenzoic acid
CID 7418
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone
CID 175015018
bis(3-methylphenyl)methanone
CID 17848
[3-[hydroxy(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinic acid
CID 178174312
(4-tert-butylphenyl)-diphenylphosphorylmethanone
CID 21464702
bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone
CID 154663446
(3-methylbenzoyl)azanium
CID 153183849
[(5-benzyl-2,3,4-trimethylphenyl)-phenylphosphoryl]-phenylmethanone
CID 140551134
3-methyl-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 5343922
(3-methylbenzoyl) 3-methylbenzenecarboperoxoate;1,2-xylene
CID 175518678
(4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone
CID 141016021

Frequently Asked Questions

What is the IUPAC name of diphenylphosphoryl-(3-methylphenyl)methanone?
The IUPAC name of diphenylphosphoryl-(3-methylphenyl)methanone (CID 57182272) is diphenylphosphoryl-(3-methylphenyl)methanone.
What is the SMILES notation for diphenylphosphoryl-(3-methylphenyl)methanone?
The canonical SMILES for diphenylphosphoryl-(3-methylphenyl)methanone is Cc1cccc(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of diphenylphosphoryl-(3-methylphenyl)methanone?
The InChIKey is WQSINLAHCCXNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17O2P/c1-16-9-8-10-17(15-16)20(21)23(22,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15H,1H3.
What are the key properties of diphenylphosphoryl-(3-methylphenyl)methanone?
diphenylphosphoryl-(3-methylphenyl)methanone has a molecular weight of 320.33 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphoryl-(3-methylphenyl)methanone is sourced from PubChem (CID 57182272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).