(2-tert-butyl-4-methylphenyl) dihydrogen phosphite

C11H17O3P — CID 19741799

IUPAC(2-tert-butyl-4-methylphenyl) dihydrogen phosphite
SMILESCc1ccc(OP(O)O)c(C(C)(C)C)c1
InChIInChI=1S/C11H17O3P/c1-8-5-6-10(14-15(12)13)9(7-8)11(2,3)4/h5-7,12-13H,1-4H3
InChIKeyWPMYWRWBPPJGRY-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.88
Rot. Bonds2

About (2-tert-butyl-4-methylphenyl) dihydrogen phosphite

(2-tert-butyl-4-methylphenyl) dihydrogen phosphite (PubChem CID 19741799) has the molecular formula C11H17O3P and a molecular weight of 228.23 g/mol. Its IUPAC name is (2-tert-butyl-4-methylphenyl) dihydrogen phosphite.

Molecular Properties

Compound Name(2-tert-butyl-4-methylphenyl) dihydrogen phosphite
PubChem CID19741799
Molecular FormulaC11H17O3P
Molecular Weight228.23 g/mol
Exact Mass228.09
IUPAC Name(2-tert-butyl-4-methylphenyl) dihydrogen phosphite
SMILESCc1ccc(OP(O)O)c(C(C)(C)C)c1
InChIInChI=1S/C11H17O3P/c1-8-5-6-10(14-15(12)13)9(7-8)11(2,3)4/h5-7,12-13H,1-4H3
InChIKeyWPMYWRWBPPJGRY-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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Related Compounds

(2,4-ditert-butylphenyl) dihydrogen phosphite
CID 159985357
(2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite
CID 160501939
2-tert-butyl-1-hexoxy-4-hexyl-3-methylbenzene;(2-tert-butyl-4-methylphenyl) dihydrogen phosphite;phosphorous acid
CID 88706439
(2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane
CID 90750737
(2,4-ditert-butylphenyl) dihydrogen phosphate;(2,4-ditert-butylphenyl) dihydrogen phosphite
CID 159327100
(2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate
CID 19934094
tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite
CID 66925984
2-(2-tert-butyl-4-methylphenoxy)propanoyl chloride
CID 82042146
(2-tert-butyl-4-methylphenyl) 2-methoxyacetate
CID 19184240
(2,4-ditert-butylphenoxy)-dimethylphosphane
CID 19091733
2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene
CID 143390166
2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 55063375

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-methylphenyl) dihydrogen phosphite?
The IUPAC name of (2-tert-butyl-4-methylphenyl) dihydrogen phosphite (CID 19741799) is (2-tert-butyl-4-methylphenyl) dihydrogen phosphite.
What is the SMILES notation for (2-tert-butyl-4-methylphenyl) dihydrogen phosphite?
The canonical SMILES for (2-tert-butyl-4-methylphenyl) dihydrogen phosphite is Cc1ccc(OP(O)O)c(C(C)(C)C)c1.
What is the InChIKey of (2-tert-butyl-4-methylphenyl) dihydrogen phosphite?
The InChIKey is WPMYWRWBPPJGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O3P/c1-8-5-6-10(14-15(12)13)9(7-8)11(2,3)4/h5-7,12-13H,1-4H3.
What are the key properties of (2-tert-butyl-4-methylphenyl) dihydrogen phosphite?
(2-tert-butyl-4-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-4-methylphenyl) dihydrogen phosphite is sourced from PubChem (CID 19741799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).