[benzyl(phenoxy)phosphoryl]methylbenzene

C20H19O2P — CID 23079553

IUPAC[benzyl(phenoxy)phosphoryl]methylbenzene
SMILESO=P(Cc1ccccc1)(Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H19O2P/c21-23(16-18-10-4-1-5-11-18,17-19-12-6-2-7-13-19)22-20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeySJQIHXRLJREVPV-UHFFFAOYSA-N
MW322.34 g/mol
LogP5.74
Rot. Bonds6

About [benzyl(phenoxy)phosphoryl]methylbenzene

[benzyl(phenoxy)phosphoryl]methylbenzene (PubChem CID 23079553) has the molecular formula C20H19O2P and a molecular weight of 322.34 g/mol. Its IUPAC name is [benzyl(phenoxy)phosphoryl]methylbenzene.

Molecular Properties

Compound Name[benzyl(phenoxy)phosphoryl]methylbenzene
PubChem CID23079553
Molecular FormulaC20H19O2P
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name[benzyl(phenoxy)phosphoryl]methylbenzene
SMILESO=P(Cc1ccccc1)(Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H19O2P/c21-23(16-18-10-4-1-5-11-18,17-19-12-6-2-7-13-19)22-20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeySJQIHXRLJREVPV-UHFFFAOYSA-N
XLogP5.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.34
LogP ≤ 55.74
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

benzyl(phenoxy)phosphinic acid
CID 54071062
[benzyl(phenoxy)phosphoryl]oxymethanamine
CID 174833549
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
N-[phenoxy(phenyl)phosphoryl]-1-phenylmethanamine
CID 143869037
[benzyl(methoxy)phosphoryl]methanol
CID 54224349
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
(4-chlorophenyl)methyl-phenoxyphosphinic acid
CID 22932200
4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol
CID 69095386
1,3-diphenylpropan-2-yl diphenyl phosphate
CID 45103115
[butyl(propyl)phosphoryl]oxybenzene
CID 23081695
N-diphenoxyphosphoryl-2-phenylethanamine
CID 26793774

Frequently Asked Questions

What is the IUPAC name of [benzyl(phenoxy)phosphoryl]methylbenzene?
The IUPAC name of [benzyl(phenoxy)phosphoryl]methylbenzene (CID 23079553) is [benzyl(phenoxy)phosphoryl]methylbenzene.
What is the SMILES notation for [benzyl(phenoxy)phosphoryl]methylbenzene?
The canonical SMILES for [benzyl(phenoxy)phosphoryl]methylbenzene is O=P(Cc1ccccc1)(Cc1ccccc1)Oc1ccccc1.
What is the InChIKey of [benzyl(phenoxy)phosphoryl]methylbenzene?
The InChIKey is SJQIHXRLJREVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O2P/c21-23(16-18-10-4-1-5-11-18,17-19-12-6-2-7-13-19)22-20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of [benzyl(phenoxy)phosphoryl]methylbenzene?
[benzyl(phenoxy)phosphoryl]methylbenzene has a molecular weight of 322.34 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl(phenoxy)phosphoryl]methylbenzene is sourced from PubChem (CID 23079553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).