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

C29H37O3P — CID 19351828

IUPAC2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-(4-methoxyphenyl)phosphanyl]-4-methylphenol
SMILESCOc1ccc(P(c2cc(C)cc(C(C)(C)C)c2O)c2cc(C)cc(C(C)(C)C)c2O)cc1
InChIInChI=1S/C29H37O3P/c1-18-14-22(28(3,4)5)26(30)24(16-18)33(21-12-10-20(32-9)11-13-21)25-17-19(2)15-23(27(25)31)29(6,7)8/h10-17,30-31H,1-9H3
InChIKeyYMQCYKAUBGFDTO-UHFFFAOYSA-N
MW464.59 g/mol
LogP6.08
Rot. Bonds4

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

2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-(4-methoxyphenyl)phosphanyl]-4-methylphenol (PubChem CID 19351828) has the molecular formula C29H37O3P and a molecular weight of 464.59 g/mol. Its IUPAC name is 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-(4-methoxyphenyl)phosphanyl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-(4-methoxyphenyl)phosphanyl]-4-methylphenol
PubChem CID19351828
Molecular FormulaC29H37O3P
Molecular Weight464.59 g/mol
Exact Mass464.25
IUPAC Name2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-(4-methoxyphenyl)phosphanyl]-4-methylphenol
SMILESCOc1ccc(P(c2cc(C)cc(C(C)(C)C)c2O)c2cc(C)cc(C(C)(C)C)c2O)cc1
InChIInChI=1S/C29H37O3P/c1-18-14-22(28(3,4)5)26(30)24(16-18)33(21-12-10-20(32-9)11-13-21)25-17-19(2)15-23(27(25)31)29(6,7)8/h10-17,30-31H,1-9H3
InChIKeyYMQCYKAUBGFDTO-UHFFFAOYSA-N
XLogP6.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-(4-methoxyphenyl)phosphanyl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-(4-methoxyphenyl)phosphanyl]-4-methylphenol (CID 19351828) is 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-(4-methoxyphenyl)phosphanyl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-(4-methoxyphenyl)phosphanyl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-(4-methoxyphenyl)phosphanyl]-4-methylphenol is COc1ccc(P(c2cc(C)cc(C(C)(C)C)c2O)c2cc(C)cc(C(C)(C)C)c2O)cc1.
What is the InChIKey of 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-(4-methoxyphenyl)phosphanyl]-4-methylphenol?
The InChIKey is YMQCYKAUBGFDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37O3P/c1-18-14-22(28(3,4)5)26(30)24(16-18)33(21-12-10-20(32-9)11-13-21)25-17-19(2)15-23(27(25)31)29(6,7)8/h10-17,30-31H,1-9H3.
What are the key properties of 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-(4-methoxyphenyl)phosphanyl]-4-methylphenol?
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-(4-methoxyphenyl)phosphanyl]-4-methylphenol has a molecular weight of 464.59 g/mol, XLogP of 6.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-(4-methoxyphenyl)phosphanyl]-4-methylphenol is sourced from PubChem (CID 19351828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).