1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene

C21H20ClOP — CID 143956101

IUPAC1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene
SMILESCc1ccc(P(=O)(c2ccc(C)cc2)c2ccc(C)cc2Cl)cc1
InChIInChI=1S/C21H20ClOP/c1-15-4-9-18(10-5-15)24(23,19-11-6-16(2)7-12-19)21-13-8-17(3)14-20(21)22/h4-14H,1-3H3
InChIKeyZSDYWWYJXMXVOA-UHFFFAOYSA-N
MW354.82 g/mol
LogP4.90
Rot. Bonds3

About 1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene

1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene (PubChem CID 143956101) has the molecular formula C21H20ClOP and a molecular weight of 354.82 g/mol. Its IUPAC name is 1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene.

Molecular Properties

Compound Name1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene
PubChem CID143956101
Molecular FormulaC21H20ClOP
Molecular Weight354.82 g/mol
Exact Mass354.09
IUPAC Name1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene
SMILESCc1ccc(P(=O)(c2ccc(C)cc2)c2ccc(C)cc2Cl)cc1
InChIInChI=1S/C21H20ClOP/c1-15-4-9-18(10-5-15)24(23,19-11-6-16(2)7-12-19)21-13-8-17(3)14-20(21)22/h4-14H,1-3H3
InChIKeyZSDYWWYJXMXVOA-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis[bis(4-methylphenyl)phosphoryl]benzene
CID 139462616
1-dibromophosphoryl-4-methylbenzene
CID 154160325
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
1-difluorophosphoryl-4-methylbenzene
CID 23418656
1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene
CID 90141834
5-bis(4-methylphenyl)phosphoryl-4-iodo-2,2-dimethyl-1,3-benzodioxole
CID 141060534
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
2-chloro-4-methylaniline
CID 12007
2,3-dichloro-6-methylnaphthalene
CID 21366530
1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene
CID 15910881
1,3-dichloro-2-[[[(2,6-dichlorophenyl)-phenylmethyl]-(2,5-dimethylphenyl)phosphoryl]-phenylmethyl]benzene
CID 152728303
4-[(E)-2-[4-[[4-[(E)-2-(4-formylphenyl)ethenyl]phenyl]-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]phosphoryl]phenyl]ethenyl]benzaldehyde
CID 58942099

Frequently Asked Questions

What is the IUPAC name of 1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene?
The IUPAC name of 1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene (CID 143956101) is 1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene.
What is the SMILES notation for 1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene?
The canonical SMILES for 1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene is Cc1ccc(P(=O)(c2ccc(C)cc2)c2ccc(C)cc2Cl)cc1.
What is the InChIKey of 1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene?
The InChIKey is ZSDYWWYJXMXVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClOP/c1-15-4-9-18(10-5-15)24(23,19-11-6-16(2)7-12-19)21-13-8-17(3)14-20(21)22/h4-14H,1-3H3.
What are the key properties of 1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene?
1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene has a molecular weight of 354.82 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene is sourced from PubChem (CID 143956101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).