bis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane

C24H27O2P — CID 23352982

IUPACbis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane
SMILESCc1ccc(OP(Oc2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C24H27O2P/c1-16-7-10-22(19(4)13-16)25-27(24-12-9-18(3)15-21(24)6)26-23-11-8-17(2)14-20(23)5/h7-15H,1-6H3
InChIKeyAQPLZZNTIOPXQJ-UHFFFAOYSA-N
MW378.45 g/mol
LogP6.63
Rot. Bonds5

About bis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane

bis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane (PubChem CID 23352982) has the molecular formula C24H27O2P and a molecular weight of 378.45 g/mol. Its IUPAC name is bis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane.

Molecular Properties

Compound Namebis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane
PubChem CID23352982
Molecular FormulaC24H27O2P
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Namebis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane
SMILESCc1ccc(OP(Oc2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C24H27O2P/c1-16-7-10-22(19(4)13-16)25-27(24-12-9-18(3)15-21(24)6)26-23-11-8-17(2)14-20(23)5/h7-15H,1-6H3
InChIKeyAQPLZZNTIOPXQJ-UHFFFAOYSA-N
XLogP6.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 56.63
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

(4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane
CID 122596264
palladium(2+);bis(tris(2,4-dimethylphenyl)phosphane)
CID 19087177
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
1-methoxy-2,4-dimethylbenzene;propane
CID 54037455
bis(2,4-dimethylphenoxy)methanethione
CID 134916963
1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499
1-(2,2-difluoropropoxy)-2,4-dimethylbenzene
CID 121391034
ethane;1-ethenoxy-2,4-dimethylbenzene
CID 145162250
bis(2,4-dimethylphenyl)-phenylphosphane
CID 12046948
(2,4-dimethylphenyl) sulfite
CID 57159721
5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione
CID 44611397
1-[[[bis(2,4-dimethylphenoxy)phosphanylimino-bis(2,4-dimethylphenoxy)-λ5-phosphanyl]amino]-(2,4-dimethylphenoxy)phosphanyl]oxy-2,4-dimethylbenzene
CID 87842913

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane?
The IUPAC name of bis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane (CID 23352982) is bis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane.
What is the SMILES notation for bis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane?
The canonical SMILES for bis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane is Cc1ccc(OP(Oc2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of bis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane?
The InChIKey is AQPLZZNTIOPXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27O2P/c1-16-7-10-22(19(4)13-16)25-27(24-12-9-18(3)15-21(24)6)26-23-11-8-17(2)14-20(23)5/h7-15H,1-6H3.
What are the key properties of bis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane?
bis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane has a molecular weight of 378.45 g/mol, XLogP of 6.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane is sourced from PubChem (CID 23352982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).