2-(6-hydroxy-2,3,4-trimethylphenyl)-3,4,5-trimethyl-6-[(2,3,4,5-tetramethyl-6-nitrophenyl)diazenyl]phenol

C28H33N3O4 — CID 135733743

IUPAC2-(6-hydroxy-2,3,4-trimethylphenyl)-3,4,5-trimethyl-6-[(2,3,4,5-tetramethyl-6-nitrophenyl)diazenyl]phenol
SMILESCc1cc(O)c(-c2c(C)c(C)c(C)c(/N=N/c3c(C)c(C)c(C)c(C)c3[N+](=O)[O-])c2O)c(C)c1C
InChIInChI=1S/C28H33N3O4/c1-12-11-22(32)23(17(6)13(12)2)24-18(7)16(5)20(9)26(28(24)33)30-29-25-19(8)14(3)15(4)21(10)27(25)31(34)35/h11,32-33H,1-10H3/b30-29+
InChIKeyIARHKVKLHMEYLU-QVIHXGFCSA-N
MW475.59 g/mol
LogP8.17
Rot. Bonds4

About 2-(6-hydroxy-2,3,4-trimethylphenyl)-3,4,5-trimethyl-6-[(2,3,4,5-tetramethyl-6-nitrophenyl)diazenyl]phenol

2-(6-hydroxy-2,3,4-trimethylphenyl)-3,4,5-trimethyl-6-[(2,3,4,5-tetramethyl-6-nitrophenyl)diazenyl]phenol (PubChem CID 135733743) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-(6-hydroxy-2,3,4-trimethylphenyl)-3,4,5-trimethyl-6-[(2,3,4,5-tetramethyl-6-nitrophenyl)diazenyl]phenol.

Molecular Properties

Compound Name2-(6-hydroxy-2,3,4-trimethylphenyl)-3,4,5-trimethyl-6-[(2,3,4,5-tetramethyl-6-nitrophenyl)diazenyl]phenol
PubChem CID135733743
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name2-(6-hydroxy-2,3,4-trimethylphenyl)-3,4,5-trimethyl-6-[(2,3,4,5-tetramethyl-6-nitrophenyl)diazenyl]phenol
SMILESCc1cc(O)c(-c2c(C)c(C)c(C)c(/N=N/c3c(C)c(C)c(C)c(C)c3[N+](=O)[O-])c2O)c(C)c1C
InChIInChI=1S/C28H33N3O4/c1-12-11-22(32)23(17(6)13(12)2)24-18(7)16(5)20(9)26(28(24)33)30-29-25-19(8)14(3)15(4)21(10)27(25)31(34)35/h11,32-33H,1-10H3/b30-29+
InChIKeyIARHKVKLHMEYLU-QVIHXGFCSA-N
XLogP8.17
TPSA108.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 58.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-2,3,4-trimethylphenyl)-3,4,5-trimethyl-6-[(2,3,4,5-tetramethyl-6-nitrophenyl)diazenyl]phenol?
The IUPAC name of 2-(6-hydroxy-2,3,4-trimethylphenyl)-3,4,5-trimethyl-6-[(2,3,4,5-tetramethyl-6-nitrophenyl)diazenyl]phenol (CID 135733743) is 2-(6-hydroxy-2,3,4-trimethylphenyl)-3,4,5-trimethyl-6-[(2,3,4,5-tetramethyl-6-nitrophenyl)diazenyl]phenol.
What is the SMILES notation for 2-(6-hydroxy-2,3,4-trimethylphenyl)-3,4,5-trimethyl-6-[(2,3,4,5-tetramethyl-6-nitrophenyl)diazenyl]phenol?
The canonical SMILES for 2-(6-hydroxy-2,3,4-trimethylphenyl)-3,4,5-trimethyl-6-[(2,3,4,5-tetramethyl-6-nitrophenyl)diazenyl]phenol is Cc1cc(O)c(-c2c(C)c(C)c(C)c(/N=N/c3c(C)c(C)c(C)c(C)c3[N+](=O)[O-])c2O)c(C)c1C.
What is the InChIKey of 2-(6-hydroxy-2,3,4-trimethylphenyl)-3,4,5-trimethyl-6-[(2,3,4,5-tetramethyl-6-nitrophenyl)diazenyl]phenol?
The InChIKey is IARHKVKLHMEYLU-QVIHXGFCSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-12-11-22(32)23(17(6)13(12)2)24-18(7)16(5)20(9)26(28(24)33)30-29-25-19(8)14(3)15(4)21(10)27(25)31(34)35/h11,32-33H,1-10H3/b30-29+.
What are the key properties of 2-(6-hydroxy-2,3,4-trimethylphenyl)-3,4,5-trimethyl-6-[(2,3,4,5-tetramethyl-6-nitrophenyl)diazenyl]phenol?
2-(6-hydroxy-2,3,4-trimethylphenyl)-3,4,5-trimethyl-6-[(2,3,4,5-tetramethyl-6-nitrophenyl)diazenyl]phenol has a molecular weight of 475.59 g/mol, XLogP of 8.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-2,3,4-trimethylphenyl)-3,4,5-trimethyl-6-[(2,3,4,5-tetramethyl-6-nitrophenyl)diazenyl]phenol is sourced from PubChem (CID 135733743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).