bis(4-chloro-2-methylphenyl)-phenylphosphane

C20H17Cl2P — CID 59575015

IUPACbis(4-chloro-2-methylphenyl)-phenylphosphane
SMILESCc1cc(Cl)ccc1P(c1ccccc1)c1ccc(Cl)cc1C
InChIInChI=1S/C20H17Cl2P/c1-14-12-16(21)8-10-19(14)23(18-6-4-3-5-7-18)20-11-9-17(22)13-15(20)2/h3-13H,1-2H3
InChIKeyLWUARSZAISLRKQ-UHFFFAOYSA-N
MW359.24 g/mol
LogP5.37
Rot. Bonds3

About bis(4-chloro-2-methylphenyl)-phenylphosphane

bis(4-chloro-2-methylphenyl)-phenylphosphane (PubChem CID 59575015) has the molecular formula C20H17Cl2P and a molecular weight of 359.24 g/mol. Its IUPAC name is bis(4-chloro-2-methylphenyl)-phenylphosphane.

Molecular Properties

Compound Namebis(4-chloro-2-methylphenyl)-phenylphosphane
PubChem CID59575015
Molecular FormulaC20H17Cl2P
Molecular Weight359.24 g/mol
Exact Mass358.04
IUPAC Namebis(4-chloro-2-methylphenyl)-phenylphosphane
SMILESCc1cc(Cl)ccc1P(c1ccccc1)c1ccc(Cl)cc1C
InChIInChI=1S/C20H17Cl2P/c1-14-12-16(21)8-10-19(14)23(18-6-4-3-5-7-18)20-11-9-17(22)13-15(20)2/h3-13H,1-2H3
InChIKeyLWUARSZAISLRKQ-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.24
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-2-methylphenyl)-diphenylphosphane
CID 100913649
bis(2,4-dimethylphenyl)-phenylphosphane
CID 12046948
phenyl-bis(2,3,4-trimethylphenyl)phosphane
CID 19817893
4-chloro-2-diphenylphosphanylphenol
CID 88897558
trichlororhodium;triphenylphosphane;1,2-xylene
CID 174728734
(4-chloro-2-methylphenyl)azanium
CID 24848193
ethane;triphenylphosphane
CID 90942156
[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane
CID 10282339
4-chloro-2-methyl-1-(2-methylphenyl)benzene
CID 70849207
triphenylphosphane
CID 139056248
CID 10959964
CID 10959964
1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene
CID 70540354

Frequently Asked Questions

What is the IUPAC name of bis(4-chloro-2-methylphenyl)-phenylphosphane?
The IUPAC name of bis(4-chloro-2-methylphenyl)-phenylphosphane (CID 59575015) is bis(4-chloro-2-methylphenyl)-phenylphosphane.
What is the SMILES notation for bis(4-chloro-2-methylphenyl)-phenylphosphane?
The canonical SMILES for bis(4-chloro-2-methylphenyl)-phenylphosphane is Cc1cc(Cl)ccc1P(c1ccccc1)c1ccc(Cl)cc1C.
What is the InChIKey of bis(4-chloro-2-methylphenyl)-phenylphosphane?
The InChIKey is LWUARSZAISLRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2P/c1-14-12-16(21)8-10-19(14)23(18-6-4-3-5-7-18)20-11-9-17(22)13-15(20)2/h3-13H,1-2H3.
What are the key properties of bis(4-chloro-2-methylphenyl)-phenylphosphane?
bis(4-chloro-2-methylphenyl)-phenylphosphane has a molecular weight of 359.24 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chloro-2-methylphenyl)-phenylphosphane is sourced from PubChem (CID 59575015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).