[decoxy(phenyl)phosphoryl]benzene

C22H31O2P — CID 135066173

IUPAC[decoxy(phenyl)phosphoryl]benzene
SMILESCCCCCCCCCCOP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31O2P/c1-2-3-4-5-6-7-8-15-20-24-25(23,21-16-11-9-12-17-21)22-18-13-10-14-19-22/h9-14,16-19H,2-8,15,20H2,1H3
InChIKeyZPMKWBOBINMMPQ-UHFFFAOYSA-N
MW358.46 g/mol
LogP6.07
Rot. Bonds12

About [decoxy(phenyl)phosphoryl]benzene

[decoxy(phenyl)phosphoryl]benzene (PubChem CID 135066173) has the molecular formula C22H31O2P and a molecular weight of 358.46 g/mol. Its IUPAC name is [decoxy(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[decoxy(phenyl)phosphoryl]benzene
PubChem CID135066173
Molecular FormulaC22H31O2P
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Name[decoxy(phenyl)phosphoryl]benzene
SMILESCCCCCCCCCCOP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31O2P/c1-2-3-4-5-6-7-8-15-20-24-25(23,21-16-11-9-12-17-21)22-18-13-10-14-19-22/h9-14,16-19H,2-8,15,20H2,1H3
InChIKeyZPMKWBOBINMMPQ-UHFFFAOYSA-N
XLogP6.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

di(tridecoxy)phosphorylbenzene
CID 87531060
hexoxy-diphenyl-sulfanylidene-λ5-phosphane
CID 134935003
1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene
CID 66796976
[2-methylpropoxy(tridecoxy)phosphoryl]benzene
CID 91723456
hexyl diphenyl phosphate
CID 13389453
heptyl pentyl phenyl phosphate
CID 21454681
neodymium(3+);tris([(Z)-octadec-9-enoxy]-phenylphosphinate)
CID 175578267
[(Z)-octadec-9-enoxy]-phenylphosphinic acid
CID 175578268
[butoxy(fluoro)phosphoryl]benzene
CID 23235617
benzyl(octoxy)phosphinic acid
CID 57273466
hexyl phenyl hydrogen phosphate
CID 66863526
dioctyl benzene-1,2-dicarboxylate;diphenylphosphorylbenzene
CID 160937449

Frequently Asked Questions

What is the IUPAC name of [decoxy(phenyl)phosphoryl]benzene?
The IUPAC name of [decoxy(phenyl)phosphoryl]benzene (CID 135066173) is [decoxy(phenyl)phosphoryl]benzene.
What is the SMILES notation for [decoxy(phenyl)phosphoryl]benzene?
The canonical SMILES for [decoxy(phenyl)phosphoryl]benzene is CCCCCCCCCCOP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [decoxy(phenyl)phosphoryl]benzene?
The InChIKey is ZPMKWBOBINMMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31O2P/c1-2-3-4-5-6-7-8-15-20-24-25(23,21-16-11-9-12-17-21)22-18-13-10-14-19-22/h9-14,16-19H,2-8,15,20H2,1H3.
What are the key properties of [decoxy(phenyl)phosphoryl]benzene?
[decoxy(phenyl)phosphoryl]benzene has a molecular weight of 358.46 g/mol, XLogP of 6.07, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [decoxy(phenyl)phosphoryl]benzene is sourced from PubChem (CID 135066173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).