3-[5-(5-hydroxy-2-phenylphenyl)-3,3-dimethoxypentyl]-4-methylphenol

C26H30O4 — CID 134510264

IUPAC3-[5-(5-hydroxy-2-phenylphenyl)-3,3-dimethoxypentyl]-4-methylphenol
SMILESCOC(CCc1cc(O)ccc1C)(CCc1cc(O)ccc1-c1ccccc1)OC
InChIInChI=1S/C26H30O4/c1-19-9-10-23(27)17-21(19)13-15-26(29-2,30-3)16-14-22-18-24(28)11-12-25(22)20-7-5-4-6-8-20/h4-12,17-18,27-28H,13-16H2,1-3H3
InChIKeyNWVXNVBUGWDYHL-UHFFFAOYSA-N
MW406.52 g/mol
LogP5.63
Rot. Bonds9

About 3-[5-(5-hydroxy-2-phenylphenyl)-3,3-dimethoxypentyl]-4-methylphenol

3-[5-(5-hydroxy-2-phenylphenyl)-3,3-dimethoxypentyl]-4-methylphenol (PubChem CID 134510264) has the molecular formula C26H30O4 and a molecular weight of 406.52 g/mol. Its IUPAC name is 3-[5-(5-hydroxy-2-phenylphenyl)-3,3-dimethoxypentyl]-4-methylphenol.

Molecular Properties

Compound Name3-[5-(5-hydroxy-2-phenylphenyl)-3,3-dimethoxypentyl]-4-methylphenol
PubChem CID134510264
Molecular FormulaC26H30O4
Molecular Weight406.52 g/mol
Exact Mass406.21
IUPAC Name3-[5-(5-hydroxy-2-phenylphenyl)-3,3-dimethoxypentyl]-4-methylphenol
SMILESCOC(CCc1cc(O)ccc1C)(CCc1cc(O)ccc1-c1ccccc1)OC
InChIInChI=1S/C26H30O4/c1-19-9-10-23(27)17-21(19)13-15-26(29-2,30-3)16-14-22-18-24(28)11-12-25(22)20-7-5-4-6-8-20/h4-12,17-18,27-28H,13-16H2,1-3H3
InChIKeyNWVXNVBUGWDYHL-UHFFFAOYSA-N
XLogP5.63
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.52
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-hydroxy-2-phenylphenyl)-3,3-dimethoxypentyl]-4-methylphenol?
The IUPAC name of 3-[5-(5-hydroxy-2-phenylphenyl)-3,3-dimethoxypentyl]-4-methylphenol (CID 134510264) is 3-[5-(5-hydroxy-2-phenylphenyl)-3,3-dimethoxypentyl]-4-methylphenol.
What is the SMILES notation for 3-[5-(5-hydroxy-2-phenylphenyl)-3,3-dimethoxypentyl]-4-methylphenol?
The canonical SMILES for 3-[5-(5-hydroxy-2-phenylphenyl)-3,3-dimethoxypentyl]-4-methylphenol is COC(CCc1cc(O)ccc1C)(CCc1cc(O)ccc1-c1ccccc1)OC.
What is the InChIKey of 3-[5-(5-hydroxy-2-phenylphenyl)-3,3-dimethoxypentyl]-4-methylphenol?
The InChIKey is NWVXNVBUGWDYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O4/c1-19-9-10-23(27)17-21(19)13-15-26(29-2,30-3)16-14-22-18-24(28)11-12-25(22)20-7-5-4-6-8-20/h4-12,17-18,27-28H,13-16H2,1-3H3.
What are the key properties of 3-[5-(5-hydroxy-2-phenylphenyl)-3,3-dimethoxypentyl]-4-methylphenol?
3-[5-(5-hydroxy-2-phenylphenyl)-3,3-dimethoxypentyl]-4-methylphenol has a molecular weight of 406.52 g/mol, XLogP of 5.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-hydroxy-2-phenylphenyl)-3,3-dimethoxypentyl]-4-methylphenol is sourced from PubChem (CID 134510264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).