(2-tert-butyl-3-methylphenyl) dihydrogen phosphite

C11H17O3P — CID 67914227

IUPAC(2-tert-butyl-3-methylphenyl) dihydrogen phosphite
SMILESCc1cccc(OP(O)O)c1C(C)(C)C
InChIInChI=1S/C11H17O3P/c1-8-6-5-7-9(14-15(12)13)10(8)11(2,3)4/h5-7,12-13H,1-4H3
InChIKeyRLEDQWHBWPLYOW-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.88
Rot. Bonds2

About (2-tert-butyl-3-methylphenyl) dihydrogen phosphite

(2-tert-butyl-3-methylphenyl) dihydrogen phosphite (PubChem CID 67914227) has the molecular formula C11H17O3P and a molecular weight of 228.23 g/mol. Its IUPAC name is (2-tert-butyl-3-methylphenyl) dihydrogen phosphite.

Molecular Properties

Compound Name(2-tert-butyl-3-methylphenyl) dihydrogen phosphite
PubChem CID67914227
Molecular FormulaC11H17O3P
Molecular Weight228.23 g/mol
Exact Mass228.09
IUPAC Name(2-tert-butyl-3-methylphenyl) dihydrogen phosphite
SMILESCc1cccc(OP(O)O)c1C(C)(C)C
InChIInChI=1S/C11H17O3P/c1-8-6-5-7-9(14-15(12)13)10(8)11(2,3)4/h5-7,12-13H,1-4H3
InChIKeyRLEDQWHBWPLYOW-UHFFFAOYSA-N
XLogP2.88
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.88
H-Bond Donors ≤ 52
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 (2-tert-butyl-3-methylphenyl) dihydrogen phosphite?
The IUPAC name of (2-tert-butyl-3-methylphenyl) dihydrogen phosphite (CID 67914227) is (2-tert-butyl-3-methylphenyl) dihydrogen phosphite.
What is the SMILES notation for (2-tert-butyl-3-methylphenyl) dihydrogen phosphite?
The canonical SMILES for (2-tert-butyl-3-methylphenyl) dihydrogen phosphite is Cc1cccc(OP(O)O)c1C(C)(C)C.
What is the InChIKey of (2-tert-butyl-3-methylphenyl) dihydrogen phosphite?
The InChIKey is RLEDQWHBWPLYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O3P/c1-8-6-5-7-9(14-15(12)13)10(8)11(2,3)4/h5-7,12-13H,1-4H3.
What are the key properties of (2-tert-butyl-3-methylphenyl) dihydrogen phosphite?
(2-tert-butyl-3-methylphenyl) dihydrogen phosphite has a molecular weight of 228.23 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-3-methylphenyl) dihydrogen phosphite is sourced from PubChem (CID 67914227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).