3-(4-hydroxyphenyl)-2-[4-[2-[methyl(3-phenylpropyl)amino]ethoxy]phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol

C34H32F3NO4 — CID 10231776

About 3-(4-hydroxyphenyl)-2-[4-[2-[methyl(3-phenylpropyl)amino]ethoxy]phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol

3-(4-hydroxyphenyl)-2-[4-[2-[methyl(3-phenylpropyl)amino]ethoxy]phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol (PubChem CID 10231776) has the molecular formula C34H32F3NO4 and a molecular weight of 575.63 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-[4-[2-[methyl(3-phenylpropyl)amino]ethoxy]phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol.

Molecular Properties

• Compound Name: 3-(4-hydroxyphenyl)-2-[4-[2-[methyl(3-phenylpropyl)amino]ethoxy]phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
• PubChem CID: 10231776
• Molecular Formula: C34H32F3NO4
• Molecular Weight: 575.63 g/mol
• Exact Mass: 575.23
• IUPAC Name: 3-(4-hydroxyphenyl)-2-[4-[2-[methyl(3-phenylpropyl)amino]ethoxy]phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
• SMILES: CN(CCCc1ccccc1)CCOc1ccc(C2Oc3cc(O)ccc3C(C(F)(F)F)=C2c2ccc(O)cc2)cc1
• InChI: InChI=1S/C34H32F3NO4/c1-38(19-5-8-23-6-3-2-4-7-23)20-21-41-28-16-11-25(12-17-28)33-31(24-9-13-26(39)14-10-24)32(34(35,36)37)29-18-15-27(40)22-30(29)42-33/h2-4,6-7,9-18,22,33,39-40H,5,8,19-21H2,1H3
• InChIKey: RZKSXLMOPINDTH-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 62.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.63
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-[4-[2-[methyl(3-phenylpropyl)amino]ethoxy]phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol?

The IUPAC name of 3-(4-hydroxyphenyl)-2-[4-[2-[methyl(3-phenylpropyl)amino]ethoxy]phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol (CID 10231776) is 3-(4-hydroxyphenyl)-2-[4-[2-[methyl(3-phenylpropyl)amino]ethoxy]phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol.

What is the SMILES notation for 3-(4-hydroxyphenyl)-2-[4-[2-[methyl(3-phenylpropyl)amino]ethoxy]phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol?

The canonical SMILES for 3-(4-hydroxyphenyl)-2-[4-[2-[methyl(3-phenylpropyl)amino]ethoxy]phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol is CN(CCCc1ccccc1)CCOc1ccc(C2Oc3cc(O)ccc3C(C(F)(F)F)=C2c2ccc(O)cc2)cc1.

What is the InChIKey of 3-(4-hydroxyphenyl)-2-[4-[2-[methyl(3-phenylpropyl)amino]ethoxy]phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol?

The InChIKey is RZKSXLMOPINDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F3NO4/c1-38(19-5-8-23-6-3-2-4-7-23)20-21-41-28-16-11-25(12-17-28)33-31(24-9-13-26(39)14-10-24)32(34(35,36)37)29-18-15-27(40)22-30(29)42-33/h2-4,6-7,9-18,22,33,39-40H,5,8,19-21H2,1H3.

What are the key properties of 3-(4-hydroxyphenyl)-2-[4-[2-[methyl(3-phenylpropyl)amino]ethoxy]phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol?

3-(4-hydroxyphenyl)-2-[4-[2-[methyl(3-phenylpropyl)amino]ethoxy]phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol has a molecular weight of 575.63 g/mol, XLogP of 7.65, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-hydroxyphenyl)-2-[4-[2-[methyl(3-phenylpropyl)amino]ethoxy]phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol is sourced from PubChem (CID 10231776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).