1-bis(3-chlorophenyl)phosphoryl-3-methylbenzene

C19H15Cl2OP — CID 20811208

IUPAC1-bis(3-chlorophenyl)phosphoryl-3-methylbenzene
SMILESCc1cccc(P(=O)(c2cccc(Cl)c2)c2cccc(Cl)c2)c1
InChIInChI=1S/C19H15Cl2OP/c1-14-5-2-8-17(11-14)23(22,18-9-3-6-15(20)12-18)19-10-4-7-16(21)13-19/h2-13H,1H3
InChIKeyVXNPGHVPDIVKNW-UHFFFAOYSA-N
MW361.21 g/mol
LogP4.94
Rot. Bonds3

About 1-bis(3-chlorophenyl)phosphoryl-3-methylbenzene

1-bis(3-chlorophenyl)phosphoryl-3-methylbenzene (PubChem CID 20811208) has the molecular formula C19H15Cl2OP and a molecular weight of 361.21 g/mol. Its IUPAC name is 1-bis(3-chlorophenyl)phosphoryl-3-methylbenzene.

Molecular Properties

Compound Name1-bis(3-chlorophenyl)phosphoryl-3-methylbenzene
PubChem CID20811208
Molecular FormulaC19H15Cl2OP
Molecular Weight361.21 g/mol
Exact Mass360.02
IUPAC Name1-bis(3-chlorophenyl)phosphoryl-3-methylbenzene
SMILESCc1cccc(P(=O)(c2cccc(Cl)c2)c2cccc(Cl)c2)c1
InChIInChI=1S/C19H15Cl2OP/c1-14-5-2-8-17(11-14)23(22,18-9-3-6-15(20)12-18)19-10-4-7-16(21)13-19/h2-13H,1H3
InChIKeyVXNPGHVPDIVKNW-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bis(3-chlorophenyl)phosphoryl-3-methylbenzene 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-bis(3-chlorophenyl)phosphoryl-3-methylbenzene?
The IUPAC name of 1-bis(3-chlorophenyl)phosphoryl-3-methylbenzene (CID 20811208) is 1-bis(3-chlorophenyl)phosphoryl-3-methylbenzene.
What is the SMILES notation for 1-bis(3-chlorophenyl)phosphoryl-3-methylbenzene?
The canonical SMILES for 1-bis(3-chlorophenyl)phosphoryl-3-methylbenzene is Cc1cccc(P(=O)(c2cccc(Cl)c2)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-bis(3-chlorophenyl)phosphoryl-3-methylbenzene?
The InChIKey is VXNPGHVPDIVKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2OP/c1-14-5-2-8-17(11-14)23(22,18-9-3-6-15(20)12-18)19-10-4-7-16(21)13-19/h2-13H,1H3.
What are the key properties of 1-bis(3-chlorophenyl)phosphoryl-3-methylbenzene?
1-bis(3-chlorophenyl)phosphoryl-3-methylbenzene has a molecular weight of 361.21 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(3-chlorophenyl)phosphoryl-3-methylbenzene is sourced from PubChem (CID 20811208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).