[2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite

C24H27O3P — CID 141189598

IUPAC[2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite
SMILESCC(C)c1ccccc1-c1ccc(OP(O)O)c(-c2ccccc2C(C)C)c1
InChIInChI=1S/C24H27O3P/c1-16(2)19-9-5-7-11-21(19)18-13-14-24(27-28(25)26)23(15-18)22-12-8-6-10-20(22)17(3)4/h5-17,25-26H,1-4H3
InChIKeyXDJPKKAIOXTRCD-UHFFFAOYSA-N
MW394.45 g/mol
LogP6.86
Rot. Bonds6

About [2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite

[2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite (PubChem CID 141189598) has the molecular formula C24H27O3P and a molecular weight of 394.45 g/mol. Its IUPAC name is [2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite.

Molecular Properties

Compound Name[2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite
PubChem CID141189598
Molecular FormulaC24H27O3P
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name[2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite
SMILESCC(C)c1ccccc1-c1ccc(OP(O)O)c(-c2ccccc2C(C)C)c1
InChIInChI=1S/C24H27O3P/c1-16(2)19-9-5-7-11-21(19)18-13-14-24(27-28(25)26)23(15-18)22-12-8-6-10-20(22)17(3)4/h5-17,25-26H,1-4H3
InChIKeyXDJPKKAIOXTRCD-UHFFFAOYSA-N
XLogP6.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2,4-bis(2-propan-2-ylphenyl)phenoxy]-[2,4-bis(2-propan-2-ylphenyl)phenyl]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 121482164
3,9-bis[2,4-bis(2-propan-2-ylphenyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 141472030
[2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite
CID 142925487
2-methyl-4-(2-propan-2-ylphenyl)phenol
CID 22438316
4-(2-propan-2-ylphenyl)-2-(4-propan-2-ylphenyl)phenol
CID 101384049
2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene
CID 69105545
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
buta-1,3-diene;(E)-3,4-dimethylpent-2-ene;[2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite
CID 142925486
methyl 2-[4-[2-chloro-4-(2-propan-2-ylphenyl)anilino]anilino]benzoate
CID 155133609
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-(2-propan-2-ylphenyl)carbazole
CID 123284746
2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde
CID 175663828
4-(2-propan-2-ylphenyl)-2-(trifluoromethyl)aniline
CID 175663849

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite?
The IUPAC name of [2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite (CID 141189598) is [2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite.
What is the SMILES notation for [2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite?
The canonical SMILES for [2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite is CC(C)c1ccccc1-c1ccc(OP(O)O)c(-c2ccccc2C(C)C)c1.
What is the InChIKey of [2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite?
The InChIKey is XDJPKKAIOXTRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27O3P/c1-16(2)19-9-5-7-11-21(19)18-13-14-24(27-28(25)26)23(15-18)22-12-8-6-10-20(22)17(3)4/h5-17,25-26H,1-4H3.
What are the key properties of [2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite?
[2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite has a molecular weight of 394.45 g/mol, XLogP of 6.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite is sourced from PubChem (CID 141189598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).