4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol

C28H26O2 — CID 23363497

IUPAC4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol
SMILESCCC(C)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C28H26O2/c1-3-28(2,22-14-16-26(29)24(18-22)20-10-6-4-7-11-20)23-15-17-27(30)25(19-23)21-12-8-5-9-13-21/h4-19,29-30H,3H2,1-2H3
InChIKeyIFVCWKXKWFXVLI-UHFFFAOYSA-N
MW394.51 g/mol
LogP7.15
Rot. Bonds5

About 4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol

4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol (PubChem CID 23363497) has the molecular formula C28H26O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol
PubChem CID23363497
Molecular FormulaC28H26O2
Molecular Weight394.51 g/mol
Exact Mass394.19
IUPAC Name4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol
SMILESCCC(C)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C28H26O2/c1-3-28(2,22-14-16-26(29)24(18-22)20-10-6-4-7-11-20)23-15-17-27(30)25(19-23)21-12-8-5-9-13-21/h4-19,29-30H,3H2,1-2H3
InChIKeyIFVCWKXKWFXVLI-UHFFFAOYSA-N
XLogP7.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol?
The IUPAC name of 4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol (CID 23363497) is 4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol.
What is the SMILES notation for 4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol?
The canonical SMILES for 4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol is CCC(C)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1.
What is the InChIKey of 4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol?
The InChIKey is IFVCWKXKWFXVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O2/c1-3-28(2,22-14-16-26(29)24(18-22)20-10-6-4-7-11-20)23-15-17-27(30)25(19-23)21-12-8-5-9-13-21/h4-19,29-30H,3H2,1-2H3.
What are the key properties of 4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol?
4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol has a molecular weight of 394.51 g/mol, XLogP of 7.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol is sourced from PubChem (CID 23363497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).