2-(2,5-dimethoxyphenyl)-1-fluoro-3,5-diphenylbenzene;2-(2-fluoro-4,6-diphenylphenyl)benzene-1,4-diol

C50H38F2O4 — CID 157319564

About 2-(2,5-dimethoxyphenyl)-1-fluoro-3,5-diphenylbenzene;2-(2-fluoro-4,6-diphenylphenyl)benzene-1,4-diol

2-(2,5-dimethoxyphenyl)-1-fluoro-3,5-diphenylbenzene;2-(2-fluoro-4,6-diphenylphenyl)benzene-1,4-diol (PubChem CID 157319564) has the molecular formula C50H38F2O4 and a molecular weight of 740.85 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-1-fluoro-3,5-diphenylbenzene;2-(2-fluoro-4,6-diphenylphenyl)benzene-1,4-diol.

Molecular Properties

• Compound Name: 2-(2,5-dimethoxyphenyl)-1-fluoro-3,5-diphenylbenzene;2-(2-fluoro-4,6-diphenylphenyl)benzene-1,4-diol
• PubChem CID: 157319564
• Molecular Formula: C50H38F2O4
• Molecular Weight: 740.85 g/mol
• Exact Mass: 740.27
• IUPAC Name: 2-(2,5-dimethoxyphenyl)-1-fluoro-3,5-diphenylbenzene;2-(2-fluoro-4,6-diphenylphenyl)benzene-1,4-diol
• SMILES: COc1ccc(OC)c(-c2c(F)cc(-c3ccccc3)cc2-c2ccccc2)c1.Oc1ccc(O)c(-c2c(F)cc(-c3ccccc3)cc2-c2ccccc2)c1
• InChI: InChI=1S/C26H21FO2.C24H17FO2/c1-28-21-13-14-25(29-2)23(17-21)26-22(19-11-7-4-8-12-19)15-20(16-24(26)27)18-9-5-3-6-10-18;25-22-14-18(16-7-3-1-4-8-16)13-20(17-9-5-2-6-10-17)24(22)21-15-19(26)11-12-23(21)27/h3-17H,1-2H3;1-15,26-27H
• InChIKey: BDZQUSQVDQRHTA-UHFFFAOYSA-N
• XLogP: 13.08
• TPSA: 58.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.85
LogP ≤ 5	13.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-1-fluoro-3,5-diphenylbenzene;2-(2-fluoro-4,6-diphenylphenyl)benzene-1,4-diol?

The IUPAC name of 2-(2,5-dimethoxyphenyl)-1-fluoro-3,5-diphenylbenzene;2-(2-fluoro-4,6-diphenylphenyl)benzene-1,4-diol (CID 157319564) is 2-(2,5-dimethoxyphenyl)-1-fluoro-3,5-diphenylbenzene;2-(2-fluoro-4,6-diphenylphenyl)benzene-1,4-diol.

What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-1-fluoro-3,5-diphenylbenzene;2-(2-fluoro-4,6-diphenylphenyl)benzene-1,4-diol?

The canonical SMILES for 2-(2,5-dimethoxyphenyl)-1-fluoro-3,5-diphenylbenzene;2-(2-fluoro-4,6-diphenylphenyl)benzene-1,4-diol is COc1ccc(OC)c(-c2c(F)cc(-c3ccccc3)cc2-c2ccccc2)c1.Oc1ccc(O)c(-c2c(F)cc(-c3ccccc3)cc2-c2ccccc2)c1.

What is the InChIKey of 2-(2,5-dimethoxyphenyl)-1-fluoro-3,5-diphenylbenzene;2-(2-fluoro-4,6-diphenylphenyl)benzene-1,4-diol?

The InChIKey is BDZQUSQVDQRHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FO2.C24H17FO2/c1-28-21-13-14-25(29-2)23(17-21)26-22(19-11-7-4-8-12-19)15-20(16-24(26)27)18-9-5-3-6-10-18;25-22-14-18(16-7-3-1-4-8-16)13-20(17-9-5-2-6-10-17)24(22)21-15-19(26)11-12-23(21)27/h3-17H,1-2H3;1-15,26-27H.

What are the key properties of 2-(2,5-dimethoxyphenyl)-1-fluoro-3,5-diphenylbenzene;2-(2-fluoro-4,6-diphenylphenyl)benzene-1,4-diol?

2-(2,5-dimethoxyphenyl)-1-fluoro-3,5-diphenylbenzene;2-(2-fluoro-4,6-diphenylphenyl)benzene-1,4-diol has a molecular weight of 740.85 g/mol, XLogP of 13.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dimethoxyphenyl)-1-fluoro-3,5-diphenylbenzene;2-(2-fluoro-4,6-diphenylphenyl)benzene-1,4-diol is sourced from PubChem (CID 157319564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).