[butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone

C28H32O4P2 — CID 58825409

IUPAC[butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone
SMILESCCCCP(=O)(C(=O)c1ccccc1C(=O)P(=O)(CCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32O4P2/c1-3-5-21-33(31,23-15-9-7-10-16-23)27(29)25-19-13-14-20-26(25)28(30)34(32,22-6-4-2)24-17-11-8-12-18-24/h7-20H,3-6,21-22H2,1-2H3
InChIKeyHBJWUFGPGBFUTJ-UHFFFAOYSA-N
MW494.51 g/mol
LogP6.94
Rot. Bonds12

About [butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone

[butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone (PubChem CID 58825409) has the molecular formula C28H32O4P2 and a molecular weight of 494.51 g/mol. Its IUPAC name is [butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone.

Molecular Properties

Compound Name[butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone
PubChem CID58825409
Molecular FormulaC28H32O4P2
Molecular Weight494.51 g/mol
Exact Mass494.18
IUPAC Name[butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone
SMILESCCCCP(=O)(C(=O)c1ccccc1C(=O)P(=O)(CCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32O4P2/c1-3-5-21-33(31,23-15-9-7-10-16-23)27(29)25-19-13-14-20-26(25)28(30)34(32,22-6-4-2)24-17-11-8-12-18-24/h7-20H,3-6,21-22H2,1-2H3
InChIKeyHBJWUFGPGBFUTJ-UHFFFAOYSA-N
XLogP6.94
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.51
LogP ≤ 56.94
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

(2,6-dimethylphenyl)-[dodecyl(phenyl)phosphoryl]methanone
CID 18514413
(4-tert-butyl-2,6-dimethylphenyl)-[heptyl(phenyl)phosphoryl]methanone
CID 18514166
[2,6-bis(trifluoromethyl)phenyl]-[hexyl(phenyl)phosphoryl]methanone
CID 18514315
[pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone
CID 18514103
1-dibutylphosphorylbutane;diphenylphosphorylbenzene
CID 174710140
butyl(phenyl)phosphinate
CID 51386598
1-[4-[butyl(phenyl)phosphoryl]phenyl]ethanone
CID 13301418
decane;phthalic acid
CID 158763790
2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid
CID 141175434
dioctyl benzene-1,2-dicarboxylate;diphenylphosphorylbenzene
CID 160937449
[butyl(decan-2-yl)phosphoryl]benzene
CID 3575781
1-[butyl(phenyl)phosphoryl]-4-chlorobenzene
CID 134968040

Frequently Asked Questions

What is the IUPAC name of [butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone?
The IUPAC name of [butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone (CID 58825409) is [butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone.
What is the SMILES notation for [butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone?
The canonical SMILES for [butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone is CCCCP(=O)(C(=O)c1ccccc1C(=O)P(=O)(CCCC)c1ccccc1)c1ccccc1.
What is the InChIKey of [butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone?
The InChIKey is HBJWUFGPGBFUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O4P2/c1-3-5-21-33(31,23-15-9-7-10-16-23)27(29)25-19-13-14-20-26(25)28(30)34(32,22-6-4-2)24-17-11-8-12-18-24/h7-20H,3-6,21-22H2,1-2H3.
What are the key properties of [butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone?
[butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone has a molecular weight of 494.51 g/mol, XLogP of 6.94, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone is sourced from PubChem (CID 58825409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).