4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol

C36H34O2 — CID 21277063

IUPAC4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol
SMILESCCCCC(c1ccc(O)c(-c2ccccc2)c1)(c1ccc(O)c(-c2ccccc2)c1)c1ccccc1C
InChIInChI=1S/C36H34O2/c1-3-4-23-36(33-18-12-11-13-26(33)2,29-19-21-34(37)31(24-29)27-14-7-5-8-15-27)30-20-22-35(38)32(25-30)28-16-9-6-10-17-28/h5-22,24-25,37-38H,3-4,23H2,1-2H3
InChIKeyXRTGRWBAHXFGCL-UHFFFAOYSA-N
MW498.67 g/mol
LogP9.26
Rot. Bonds8

About 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol

4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol (PubChem CID 21277063) has the molecular formula C36H34O2 and a molecular weight of 498.67 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol
PubChem CID21277063
Molecular FormulaC36H34O2
Molecular Weight498.67 g/mol
Exact Mass498.26
IUPAC Name4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol
SMILESCCCCC(c1ccc(O)c(-c2ccccc2)c1)(c1ccc(O)c(-c2ccccc2)c1)c1ccccc1C
InChIInChI=1S/C36H34O2/c1-3-4-23-36(33-18-12-11-13-26(33)2,29-19-21-34(37)31(24-29)27-14-7-5-8-15-27)30-20-22-35(38)32(25-30)28-16-9-6-10-17-28/h5-22,24-25,37-38H,3-4,23H2,1-2H3
InChIKeyXRTGRWBAHXFGCL-UHFFFAOYSA-N
XLogP9.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 59.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol (CID 21277063) is 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol is CCCCC(c1ccc(O)c(-c2ccccc2)c1)(c1ccc(O)c(-c2ccccc2)c1)c1ccccc1C.
What is the InChIKey of 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol?
The InChIKey is XRTGRWBAHXFGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O2/c1-3-4-23-36(33-18-12-11-13-26(33)2,29-19-21-34(37)31(24-29)27-14-7-5-8-15-27)30-20-22-35(38)32(25-30)28-16-9-6-10-17-28/h5-22,24-25,37-38H,3-4,23H2,1-2H3.
What are the key properties of 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol?
4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol has a molecular weight of 498.67 g/mol, XLogP of 9.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol is sourced from PubChem (CID 21277063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).