(2-tert-butyl-6-methyl-4-phenoxyphenyl) fluoro phenyl phosphite

C23H24FO4P — CID 67572266

IUPAC(2-tert-butyl-6-methyl-4-phenoxyphenyl) fluoro phenyl phosphite
SMILESCc1cc(Oc2ccccc2)cc(C(C)(C)C)c1OP(OF)Oc1ccccc1
InChIInChI=1S/C23H24FO4P/c1-17-15-20(25-18-11-7-5-8-12-18)16-21(23(2,3)4)22(17)27-29(28-24)26-19-13-9-6-10-14-19/h5-16H,1-4H3
InChIKeySXZRKJASCQPYPG-UHFFFAOYSA-N
MW414.41 g/mol
LogP7.67
Rot. Bonds7

About (2-tert-butyl-6-methyl-4-phenoxyphenyl) fluoro phenyl phosphite

(2-tert-butyl-6-methyl-4-phenoxyphenyl) fluoro phenyl phosphite (PubChem CID 67572266) has the molecular formula C23H24FO4P and a molecular weight of 414.41 g/mol. Its IUPAC name is (2-tert-butyl-6-methyl-4-phenoxyphenyl) fluoro phenyl phosphite.

Molecular Properties

Compound Name(2-tert-butyl-6-methyl-4-phenoxyphenyl) fluoro phenyl phosphite
PubChem CID67572266
Molecular FormulaC23H24FO4P
Molecular Weight414.41 g/mol
Exact Mass414.14
IUPAC Name(2-tert-butyl-6-methyl-4-phenoxyphenyl) fluoro phenyl phosphite
SMILESCc1cc(Oc2ccccc2)cc(C(C)(C)C)c1OP(OF)Oc1ccccc1
InChIInChI=1S/C23H24FO4P/c1-17-15-20(25-18-11-7-5-8-12-18)16-21(23(2,3)4)22(17)27-29(28-24)26-19-13-9-6-10-14-19/h5-16H,1-4H3
InChIKeySXZRKJASCQPYPG-UHFFFAOYSA-N
XLogP7.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.41
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6-methyl-4-phenoxyphenyl) fluoro phenyl phosphite?
The IUPAC name of (2-tert-butyl-6-methyl-4-phenoxyphenyl) fluoro phenyl phosphite (CID 67572266) is (2-tert-butyl-6-methyl-4-phenoxyphenyl) fluoro phenyl phosphite.
What is the SMILES notation for (2-tert-butyl-6-methyl-4-phenoxyphenyl) fluoro phenyl phosphite?
The canonical SMILES for (2-tert-butyl-6-methyl-4-phenoxyphenyl) fluoro phenyl phosphite is Cc1cc(Oc2ccccc2)cc(C(C)(C)C)c1OP(OF)Oc1ccccc1.
What is the InChIKey of (2-tert-butyl-6-methyl-4-phenoxyphenyl) fluoro phenyl phosphite?
The InChIKey is SXZRKJASCQPYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FO4P/c1-17-15-20(25-18-11-7-5-8-12-18)16-21(23(2,3)4)22(17)27-29(28-24)26-19-13-9-6-10-14-19/h5-16H,1-4H3.
What are the key properties of (2-tert-butyl-6-methyl-4-phenoxyphenyl) fluoro phenyl phosphite?
(2-tert-butyl-6-methyl-4-phenoxyphenyl) fluoro phenyl phosphite has a molecular weight of 414.41 g/mol, XLogP of 7.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6-methyl-4-phenoxyphenyl) fluoro phenyl phosphite is sourced from PubChem (CID 67572266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).