(2,3-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphite

C14H23O4P — CID 150684584

IUPAC(2,3-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphite
SMILESCC(C)(C)c1c(O)ccc(OP(O)O)c1C(C)(C)C
InChIInChI=1S/C14H23O4P/c1-13(2,3)11-9(15)7-8-10(18-19(16)17)12(11)14(4,5)6/h7-8,15-17H,1-6H3
InChIKeySCVIKOHRLYZHIO-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.58
Rot. Bonds2

About (2,3-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphite

(2,3-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphite (PubChem CID 150684584) has the molecular formula C14H23O4P and a molecular weight of 286.31 g/mol. Its IUPAC name is (2,3-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphite.

Molecular Properties

Compound Name(2,3-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphite
PubChem CID150684584
Molecular FormulaC14H23O4P
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Name(2,3-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphite
SMILESCC(C)(C)c1c(O)ccc(OP(O)O)c1C(C)(C)C
InChIInChI=1S/C14H23O4P/c1-13(2,3)11-9(15)7-8-10(18-19(16)17)12(11)14(4,5)6/h7-8,15-17H,1-6H3
InChIKeySCVIKOHRLYZHIO-UHFFFAOYSA-N
XLogP3.58
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.58
H-Bond Donors ≤ 53
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 (2,3-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphite?
The IUPAC name of (2,3-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphite (CID 150684584) is (2,3-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphite.
What is the SMILES notation for (2,3-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphite?
The canonical SMILES for (2,3-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphite is CC(C)(C)c1c(O)ccc(OP(O)O)c1C(C)(C)C.
What is the InChIKey of (2,3-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphite?
The InChIKey is SCVIKOHRLYZHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O4P/c1-13(2,3)11-9(15)7-8-10(18-19(16)17)12(11)14(4,5)6/h7-8,15-17H,1-6H3.
What are the key properties of (2,3-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphite?
(2,3-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphite has a molecular weight of 286.31 g/mol, XLogP of 3.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphite is sourced from PubChem (CID 150684584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).