2-tert-butyl-4-(phosphorosooxymethyl)phenol

C11H15O3P — CID 175331507

IUPAC2-tert-butyl-4-(phosphorosooxymethyl)phenol
SMILESCC(C)(C)c1cc(COP=O)ccc1O
InChIInChI=1S/C11H15O3P/c1-11(2,3)9-6-8(7-14-15-13)4-5-10(9)12/h4-6,12H,7H2,1-3H3
InChIKeyIVOKJXZFAXXQAJ-UHFFFAOYSA-N
MW226.21 g/mol
LogP3.41
Rot. Bonds3

About 2-tert-butyl-4-(phosphorosooxymethyl)phenol

2-tert-butyl-4-(phosphorosooxymethyl)phenol (PubChem CID 175331507) has the molecular formula C11H15O3P and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-tert-butyl-4-(phosphorosooxymethyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-(phosphorosooxymethyl)phenol
PubChem CID175331507
Molecular FormulaC11H15O3P
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name2-tert-butyl-4-(phosphorosooxymethyl)phenol
SMILESCC(C)(C)c1cc(COP=O)ccc1O
InChIInChI=1S/C11H15O3P/c1-11(2,3)9-6-8(7-14-15-13)4-5-10(9)12/h4-6,12H,7H2,1-3H3
InChIKeyIVOKJXZFAXXQAJ-UHFFFAOYSA-N
XLogP3.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-tert-butyl-4-ethylphenol);methane
CID 174954816
4-(2-aminoethyl)-2-tert-butylphenol
CID 82263790
methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 3084638
2-tert-butyl-4-(oxetan-2-ylmethoxymethyl)phenol
CID 155758449
2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol
CID 170064546
2-tert-butyl-4-pentylphenol
CID 19933254
4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol
CID 152642157
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid
CID 19087131
2-tert-butylbenzene-1,4-diol;ethanol
CID 158505394
methyl 2-[(3-tert-butyl-4-hydroxyphenyl)methyl]-4,4-dimethylpentanoate
CID 87626930
2,2,3-tris(3-tert-butyl-4-hydroxyphenyl)propanoic acid
CID 175040042
4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide
CID 87587241

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(phosphorosooxymethyl)phenol?
The IUPAC name of 2-tert-butyl-4-(phosphorosooxymethyl)phenol (CID 175331507) is 2-tert-butyl-4-(phosphorosooxymethyl)phenol.
What is the SMILES notation for 2-tert-butyl-4-(phosphorosooxymethyl)phenol?
The canonical SMILES for 2-tert-butyl-4-(phosphorosooxymethyl)phenol is CC(C)(C)c1cc(COP=O)ccc1O.
What is the InChIKey of 2-tert-butyl-4-(phosphorosooxymethyl)phenol?
The InChIKey is IVOKJXZFAXXQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O3P/c1-11(2,3)9-6-8(7-14-15-13)4-5-10(9)12/h4-6,12H,7H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(phosphorosooxymethyl)phenol?
2-tert-butyl-4-(phosphorosooxymethyl)phenol has a molecular weight of 226.21 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(phosphorosooxymethyl)phenol is sourced from PubChem (CID 175331507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).