diphenylmethanone;(2-ethylbenzoyl)phosphonic acid

C22H21O5P — CID 175203276

IUPACdiphenylmethanone;(2-ethylbenzoyl)phosphonic acid
SMILESCCc1ccccc1C(=O)P(=O)(O)O.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C9H11O4P/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-7-5-3-4-6-8(7)9(10)14(11,12)13/h1-10H;3-6H,2H2,1H3,(H2,11,12,13)
InChIKeyHJZKVPNOFAAIAA-UHFFFAOYSA-N
MW396.38 g/mol
LogP4.48
Rot. Bonds5

About diphenylmethanone;(2-ethylbenzoyl)phosphonic acid

diphenylmethanone;(2-ethylbenzoyl)phosphonic acid (PubChem CID 175203276) has the molecular formula C22H21O5P and a molecular weight of 396.38 g/mol. Its IUPAC name is diphenylmethanone;(2-ethylbenzoyl)phosphonic acid.

Molecular Properties

Compound Namediphenylmethanone;(2-ethylbenzoyl)phosphonic acid
PubChem CID175203276
Molecular FormulaC22H21O5P
Molecular Weight396.38 g/mol
Exact Mass396.11
IUPAC Namediphenylmethanone;(2-ethylbenzoyl)phosphonic acid
SMILESCCc1ccccc1C(=O)P(=O)(O)O.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C9H11O4P/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-7-5-3-4-6-8(7)9(10)14(11,12)13/h1-10H;3-6H,2H2,1H3,(H2,11,12,13)
InChIKeyHJZKVPNOFAAIAA-UHFFFAOYSA-N
XLogP4.48
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
2-ethylbenzoic acid;tungsten
CID 23518478
(2-benzoylphenyl)-ethylphosphinic acid
CID 141024977
(2,3-diethylphenyl)-phenylmethanone;phosphenous acid
CID 174596350
[2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone
CID 174908112
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene
CID 22151876
CID 174739089
CID 174739089
2-(2-ethylphenyl)-2-oxoacetic acid;hydrate
CID 174608087
1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol
CID 174845761
carbonic acid;1,2-diethylbenzene
CID 89388803

Frequently Asked Questions

What is the IUPAC name of diphenylmethanone;(2-ethylbenzoyl)phosphonic acid?
The IUPAC name of diphenylmethanone;(2-ethylbenzoyl)phosphonic acid (CID 175203276) is diphenylmethanone;(2-ethylbenzoyl)phosphonic acid.
What is the SMILES notation for diphenylmethanone;(2-ethylbenzoyl)phosphonic acid?
The canonical SMILES for diphenylmethanone;(2-ethylbenzoyl)phosphonic acid is CCc1ccccc1C(=O)P(=O)(O)O.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanone;(2-ethylbenzoyl)phosphonic acid?
The InChIKey is HJZKVPNOFAAIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C9H11O4P/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-7-5-3-4-6-8(7)9(10)14(11,12)13/h1-10H;3-6H,2H2,1H3,(H2,11,12,13).
What are the key properties of diphenylmethanone;(2-ethylbenzoyl)phosphonic acid?
diphenylmethanone;(2-ethylbenzoyl)phosphonic acid has a molecular weight of 396.38 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;(2-ethylbenzoyl)phosphonic acid is sourced from PubChem (CID 175203276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).