1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene

C24H18ClO3P — CID 21469895

IUPAC1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene
SMILESO=P(Cl)(Oc1ccccc1-c1ccccc1)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C24H18ClO3P/c25-29(26,27-23-17-9-7-15-21(23)19-11-3-1-4-12-19)28-24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H
InChIKeyIHILHBFGMHPCDV-UHFFFAOYSA-N
MW420.83 g/mol
LogP7.83
Rot. Bonds6

About 1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene

1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene (PubChem CID 21469895) has the molecular formula C24H18ClO3P and a molecular weight of 420.83 g/mol. Its IUPAC name is 1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene.

Molecular Properties

Compound Name1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene
PubChem CID21469895
Molecular FormulaC24H18ClO3P
Molecular Weight420.83 g/mol
Exact Mass420.07
IUPAC Name1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene
SMILESO=P(Cl)(Oc1ccccc1-c1ccccc1)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C24H18ClO3P/c25-29(26,27-23-17-9-7-15-21(23)19-11-3-1-4-12-19)28-24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H
InChIKeyIHILHBFGMHPCDV-UHFFFAOYSA-N
XLogP7.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.83
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene?
The IUPAC name of 1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene (CID 21469895) is 1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene.
What is the SMILES notation for 1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene?
The canonical SMILES for 1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene is O=P(Cl)(Oc1ccccc1-c1ccccc1)Oc1ccccc1-c1ccccc1.
What is the InChIKey of 1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene?
The InChIKey is IHILHBFGMHPCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClO3P/c25-29(26,27-23-17-9-7-15-21(23)19-11-3-1-4-12-19)28-24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H.
What are the key properties of 1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene?
1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene has a molecular weight of 420.83 g/mol, XLogP of 7.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene is sourced from PubChem (CID 21469895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).