tetrakis(2-tert-butylphenol);phosphorous acid

C40H59O7P — CID 175312297

IUPACtetrakis(2-tert-butylphenol);phosphorous acid
SMILESCC(C)(C)c1ccccc1O.CC(C)(C)c1ccccc1O.CC(C)(C)c1ccccc1O.CC(C)(C)c1ccccc1O.OP(O)O
InChIInChI=1S/4C10H14O.H3O3P/c4*1-10(2,3)8-6-4-5-7-9(8)11;1-4(2)3/h4*4-7,11H,1-3H3;1-3H
InChIKeyRJNRLJLNTRELBI-UHFFFAOYSA-N
MW682.88 g/mol
LogP9.95
Rot. Bonds

About tetrakis(2-tert-butylphenol);phosphorous acid

tetrakis(2-tert-butylphenol);phosphorous acid (PubChem CID 175312297) has the molecular formula C40H59O7P and a molecular weight of 682.88 g/mol. Its IUPAC name is tetrakis(2-tert-butylphenol);phosphorous acid.

Molecular Properties

Compound Nametetrakis(2-tert-butylphenol);phosphorous acid
PubChem CID175312297
Molecular FormulaC40H59O7P
Molecular Weight682.88 g/mol
Exact Mass682.40
IUPAC Nametetrakis(2-tert-butylphenol);phosphorous acid
SMILESCC(C)(C)c1ccccc1O.CC(C)(C)c1ccccc1O.CC(C)(C)c1ccccc1O.CC(C)(C)c1ccccc1O.OP(O)O
InChIInChI=1S/4C10H14O.H3O3P/c4*1-10(2,3)8-6-4-5-7-9(8)11;1-4(2)3/h4*4-7,11H,1-3H3;1-3H
InChIKeyRJNRLJLNTRELBI-UHFFFAOYSA-N
XLogP9.95
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500682.88
LogP ≤ 59.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 175472927
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Frequently Asked Questions

What is the IUPAC name of tetrakis(2-tert-butylphenol);phosphorous acid?
The IUPAC name of tetrakis(2-tert-butylphenol);phosphorous acid (CID 175312297) is tetrakis(2-tert-butylphenol);phosphorous acid.
What is the SMILES notation for tetrakis(2-tert-butylphenol);phosphorous acid?
The canonical SMILES for tetrakis(2-tert-butylphenol);phosphorous acid is CC(C)(C)c1ccccc1O.CC(C)(C)c1ccccc1O.CC(C)(C)c1ccccc1O.CC(C)(C)c1ccccc1O.OP(O)O.
What is the InChIKey of tetrakis(2-tert-butylphenol);phosphorous acid?
The InChIKey is RJNRLJLNTRELBI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H14O.H3O3P/c4*1-10(2,3)8-6-4-5-7-9(8)11;1-4(2)3/h4*4-7,11H,1-3H3;1-3H.
What are the key properties of tetrakis(2-tert-butylphenol);phosphorous acid?
tetrakis(2-tert-butylphenol);phosphorous acid has a molecular weight of 682.88 g/mol, XLogP of 9.95, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-tert-butylphenol);phosphorous acid is sourced from PubChem (CID 175312297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).