(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid

C15H28O7P2 — CID 159405265

IUPAC(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid
SMILESCC(C)(C)c1cc(COP(O)O)cc(C(C)(C)C)c1O.OP(O)O
InChIInChI=1S/C15H25O4P.H3O3P/c1-14(2,3)11-7-10(9-19-20(17)18)8-12(13(11)16)15(4,5)6;1-4(2)3/h7-8,16-18H,9H2,1-6H3;1-3H
InChIKeyLNWJJOAEMAZDER-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.91
Rot. Bonds3

About (3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid

(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid (PubChem CID 159405265) has the molecular formula C15H28O7P2 and a molecular weight of 382.33 g/mol. Its IUPAC name is (3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid.

Molecular Properties

Compound Name(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid
PubChem CID159405265
Molecular FormulaC15H28O7P2
Molecular Weight382.33 g/mol
Exact Mass382.13
IUPAC Name(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid
SMILESCC(C)(C)c1cc(COP(O)O)cc(C(C)(C)C)c1O.OP(O)O
InChIInChI=1S/C15H25O4P.H3O3P/c1-14(2,3)11-7-10(9-19-20(17)18)8-12(13(11)16)15(4,5)6;1-4(2)3/h7-8,16-18H,9H2,1-6H3;1-3H
InChIKeyLNWJJOAEMAZDER-UHFFFAOYSA-N
XLogP2.91
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.33
LogP ≤ 52.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol
CID 18406218
O-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl] ethanethioate
CID 87143193
(3,5-ditert-butyl-4-hydroxyphenyl)methoxy-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphinic acid
CID 149251641
bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl] propanedioate
CID 54266161
tris((3,5-ditert-butyl-4-hydroxyphenyl)methyl benzoate);phosphorous acid
CID 175341623
2,6-ditert-butyl-4-(nitrosomethyl)phenol
CID 54100018
(3,5-ditert-butyl-4-hydroxyphenyl)methyl 3-oxobutanoate
CID 154392115
2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol
CID 171526978
bis(2,6-ditert-butylbenzene-1,4-diol);ethane-1,2-diol
CID 172795780
(3,5-ditert-butyl-4-hydroxyphenyl)methoxy-ethoxy-oxophosphanium;nickel
CID 158653418
(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphate;ethanolate;nickel
CID 158833007
2,6-ditert-butyl-4-(2-methylpropyl)phenol
CID 161371021

Frequently Asked Questions

What is the IUPAC name of (3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid?
The IUPAC name of (3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid (CID 159405265) is (3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid.
What is the SMILES notation for (3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid?
The canonical SMILES for (3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid is CC(C)(C)c1cc(COP(O)O)cc(C(C)(C)C)c1O.OP(O)O.
What is the InChIKey of (3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid?
The InChIKey is LNWJJOAEMAZDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O4P.H3O3P/c1-14(2,3)11-7-10(9-19-20(17)18)8-12(13(11)16)15(4,5)6;1-4(2)3/h7-8,16-18H,9H2,1-6H3;1-3H.
What are the key properties of (3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid?
(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid has a molecular weight of 382.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid is sourced from PubChem (CID 159405265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).