(4-tert-butylphenyl) diphenyl phosphite

C22H23O3P — CID 19796180

IUPAC(4-tert-butylphenyl) diphenyl phosphite
SMILESCC(C)(C)c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C22H23O3P/c1-22(2,3)18-14-16-21(17-15-18)25-26(23-19-10-6-4-7-11-19)24-20-12-8-5-9-13-20/h4-17H,1-3H3
InChIKeyHNZWSLIHQPBWJV-UHFFFAOYSA-N
MW366.40 g/mol
LogP6.75
Rot. Bonds6

About (4-tert-butylphenyl) diphenyl phosphite

(4-tert-butylphenyl) diphenyl phosphite (PubChem CID 19796180) has the molecular formula C22H23O3P and a molecular weight of 366.40 g/mol. Its IUPAC name is (4-tert-butylphenyl) diphenyl phosphite.

Molecular Properties

Compound Name(4-tert-butylphenyl) diphenyl phosphite
PubChem CID19796180
Molecular FormulaC22H23O3P
Molecular Weight366.40 g/mol
Exact Mass366.14
IUPAC Name(4-tert-butylphenyl) diphenyl phosphite
SMILESCC(C)(C)c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C22H23O3P/c1-22(2,3)18-14-16-21(17-15-18)25-26(23-19-10-6-4-7-11-19)24-20-12-8-5-9-13-20/h4-17H,1-3H3
InChIKeyHNZWSLIHQPBWJV-UHFFFAOYSA-N
XLogP6.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.40
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl) diphenyl phosphite?
The IUPAC name of (4-tert-butylphenyl) diphenyl phosphite (CID 19796180) is (4-tert-butylphenyl) diphenyl phosphite.
What is the SMILES notation for (4-tert-butylphenyl) diphenyl phosphite?
The canonical SMILES for (4-tert-butylphenyl) diphenyl phosphite is CC(C)(C)c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of (4-tert-butylphenyl) diphenyl phosphite?
The InChIKey is HNZWSLIHQPBWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23O3P/c1-22(2,3)18-14-16-21(17-15-18)25-26(23-19-10-6-4-7-11-19)24-20-12-8-5-9-13-20/h4-17H,1-3H3.
What are the key properties of (4-tert-butylphenyl) diphenyl phosphite?
(4-tert-butylphenyl) diphenyl phosphite has a molecular weight of 366.40 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl) diphenyl phosphite is sourced from PubChem (CID 19796180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).