2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-phosphanylphenyl]-4-methylphenol

C28H35O2P — CID 139847731

IUPAC2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-phosphanylphenyl]-4-methylphenol
SMILESCc1cc(-c2ccc(P)c(-c3cc(C)cc(C(C)(C)C)c3O)c2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C28H35O2P/c1-16-11-19(25(29)22(13-16)27(3,4)5)18-9-10-24(31)20(15-18)21-12-17(2)14-23(26(21)30)28(6,7)8/h9-15,29-30H,31H2,1-8H3
InChIKeyNHYTWWCHQXUTIP-UHFFFAOYSA-N
MW434.56 g/mol
LogP7.14
Rot. Bonds2

About 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-phosphanylphenyl]-4-methylphenol

2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-phosphanylphenyl]-4-methylphenol (PubChem CID 139847731) has the molecular formula C28H35O2P and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-phosphanylphenyl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-phosphanylphenyl]-4-methylphenol
PubChem CID139847731
Molecular FormulaC28H35O2P
Molecular Weight434.56 g/mol
Exact Mass434.24
IUPAC Name2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-phosphanylphenyl]-4-methylphenol
SMILESCc1cc(-c2ccc(P)c(-c3cc(C)cc(C(C)(C)C)c3O)c2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C28H35O2P/c1-16-11-19(25(29)22(13-16)27(3,4)5)18-9-10-24(31)20(15-18)21-12-17(2)14-23(26(21)30)28(6,7)8/h9-15,29-30H,31H2,1-8H3
InChIKeyNHYTWWCHQXUTIP-UHFFFAOYSA-N
XLogP7.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-4-methyl-6-phenylphenol
CID 14315744
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2-tert-butyl-6-(9H-fluoren-2-yl)-4-methylphenol;carbanide;titanium(3+)
CID 59270156
2-tert-butyl-6-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylphenol
CID 132548292
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol
CID 135063895
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-phosphanylphenyl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-phosphanylphenyl]-4-methylphenol (CID 139847731) is 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-phosphanylphenyl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-phosphanylphenyl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-phosphanylphenyl]-4-methylphenol is Cc1cc(-c2ccc(P)c(-c3cc(C)cc(C(C)(C)C)c3O)c2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-phosphanylphenyl]-4-methylphenol?
The InChIKey is NHYTWWCHQXUTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35O2P/c1-16-11-19(25(29)22(13-16)27(3,4)5)18-9-10-24(31)20(15-18)21-12-17(2)14-23(26(21)30)28(6,7)8/h9-15,29-30H,31H2,1-8H3.
What are the key properties of 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-phosphanylphenyl]-4-methylphenol?
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-phosphanylphenyl]-4-methylphenol has a molecular weight of 434.56 g/mol, XLogP of 7.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-phosphanylphenyl]-4-methylphenol is sourced from PubChem (CID 139847731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).