2-[6-[2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol

C37H37NO2 — CID 136911025

IUPAC2-[6-[2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol
SMILESCc1cc(-c2cccc(-c3cc(C)cc(C(C)(C)c4ccccc4)c3O)n2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C37H37NO2/c1-24-20-28(34(39)30(22-24)36(3,4)26-14-9-7-10-15-26)32-18-13-19-33(38-32)29-21-25(2)23-31(35(29)40)37(5,6)27-16-11-8-12-17-27/h7-23,39-40H,1-6H3
InChIKeyFVWOZIMQAUWSFF-UHFFFAOYSA-N
MW527.71 g/mol
LogP9.10
Rot. Bonds6

About 2-[6-[2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol

2-[6-[2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol (PubChem CID 136911025) has the molecular formula C37H37NO2 and a molecular weight of 527.71 g/mol. Its IUPAC name is 2-[6-[2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-[6-[2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol
PubChem CID136911025
Molecular FormulaC37H37NO2
Molecular Weight527.71 g/mol
Exact Mass527.28
IUPAC Name2-[6-[2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol
SMILESCc1cc(-c2cccc(-c3cc(C)cc(C(C)(C)c4ccccc4)c3O)n2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C37H37NO2/c1-24-20-28(34(39)30(22-24)36(3,4)26-14-9-7-10-15-26)32-18-13-19-33(38-32)29-21-25(2)23-31(35(29)40)37(5,6)27-16-11-8-12-17-27/h7-23,39-40H,1-6H3
InChIKeyFVWOZIMQAUWSFF-UHFFFAOYSA-N
XLogP9.10
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 59.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2-[6-[2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol (CID 136911025) is 2-[6-[2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-[6-[2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-[6-[2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol is Cc1cc(-c2cccc(-c3cc(C)cc(C(C)(C)c4ccccc4)c3O)n2)c(O)c(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 2-[6-[2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol?
The InChIKey is FVWOZIMQAUWSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37NO2/c1-24-20-28(34(39)30(22-24)36(3,4)26-14-9-7-10-15-26)32-18-13-19-33(38-32)29-21-25(2)23-31(35(29)40)37(5,6)27-16-11-8-12-17-27/h7-23,39-40H,1-6H3.
What are the key properties of 2-[6-[2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol?
2-[6-[2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol has a molecular weight of 527.71 g/mol, XLogP of 9.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 136911025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).