[4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone

C29H25O5P — CID 87136573

IUPAC[4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone
SMILESCCCP(=O)(Oc1ccc(C(=O)c2ccccc2)cc1)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C29H25O5P/c1-2-21-35(32,33-26-17-13-24(14-18-26)28(30)22-9-5-3-6-10-22)34-27-19-15-25(16-20-27)29(31)23-11-7-4-8-12-23/h3-20H,2,21H2,1H3
InChIKeyIAOYBPKIKXIMES-UHFFFAOYSA-N
MW484.49 g/mol
LogP7.21
Rot. Bonds10

About [4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone

[4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone (PubChem CID 87136573) has the molecular formula C29H25O5P and a molecular weight of 484.49 g/mol. Its IUPAC name is [4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone
PubChem CID87136573
Molecular FormulaC29H25O5P
Molecular Weight484.49 g/mol
Exact Mass484.14
IUPAC Name[4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone
SMILESCCCP(=O)(Oc1ccc(C(=O)c2ccccc2)cc1)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C29H25O5P/c1-2-21-35(32,33-26-17-13-24(14-18-26)28(30)22-9-5-3-6-10-22)34-27-19-15-25(16-20-27)29(31)23-11-7-4-8-12-23/h3-20H,2,21H2,1H3
InChIKeyIAOYBPKIKXIMES-UHFFFAOYSA-N
XLogP7.21
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.49
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium [4-[(4-benzoylphenoxy)-methylphosphoryl]oxyphenyl]-phenylmethanone
CID 157398737
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-benzoylphenoxy)-butyltin
CID 59488003
butane;(4-hydroxyphenyl)-phenylmethanone
CID 70634619
diphenylmethanone;propan-1-amine
CID 174497329
(4-methoxyphenyl)-phenylmethanone;(4-octylphenyl)-phenylmethanone
CID 67686863
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 132915786
12-(4-benzoylphenoxy)dodecylphosphonic acid
CID 86002204
(4-benzoylphenyl) 2,2-dimethylpentanoate
CID 70377336

Frequently Asked Questions

What is the IUPAC name of [4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone?
The IUPAC name of [4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone (CID 87136573) is [4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone.
What is the SMILES notation for [4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone?
The canonical SMILES for [4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone is CCCP(=O)(Oc1ccc(C(=O)c2ccccc2)cc1)Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone?
The InChIKey is IAOYBPKIKXIMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25O5P/c1-2-21-35(32,33-26-17-13-24(14-18-26)28(30)22-9-5-3-6-10-22)34-27-19-15-25(16-20-27)29(31)23-11-7-4-8-12-23/h3-20H,2,21H2,1H3.
What are the key properties of [4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone?
[4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone has a molecular weight of 484.49 g/mol, XLogP of 7.21, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone is sourced from PubChem (CID 87136573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).