2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol

C26H25NO2 — CID 126672446

IUPAC2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol
SMILESCOc1ccccc1-c1cc(-c2c(C)cc(C)cc2C)cc(-n2cccc2)c1O
InChIInChI=1S/C26H25NO2/c1-17-13-18(2)25(19(3)14-17)20-15-22(21-9-5-6-10-24(21)29-4)26(28)23(16-20)27-11-7-8-12-27/h5-16,28H,1-4H3
InChIKeyGGTWVEDIGDISLY-UHFFFAOYSA-N
MW383.49 g/mol
LogP6.45
Rot. Bonds4

About 2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol

2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol (PubChem CID 126672446) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol
PubChem CID126672446
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol
SMILESCOc1ccccc1-c1cc(-c2c(C)cc(C)cc2C)cc(-n2cccc2)c1O
InChIInChI=1S/C26H25NO2/c1-17-13-18(2)25(19(3)14-17)20-15-22(21-9-5-6-10-24(21)29-4)26(28)23(16-20)27-11-7-8-12-27/h5-16,28H,1-4H3
InChIKeyGGTWVEDIGDISLY-UHFFFAOYSA-N
XLogP6.45
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol?
The IUPAC name of 2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol (CID 126672446) is 2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol.
What is the SMILES notation for 2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol?
The canonical SMILES for 2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol is COc1ccccc1-c1cc(-c2c(C)cc(C)cc2C)cc(-n2cccc2)c1O.
What is the InChIKey of 2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol?
The InChIKey is GGTWVEDIGDISLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-17-13-18(2)25(19(3)14-17)20-15-22(21-9-5-6-10-24(21)29-4)26(28)23(16-20)27-11-7-8-12-27/h5-16,28H,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol?
2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol has a molecular weight of 383.49 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol is sourced from PubChem (CID 126672446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).