2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline

C36H39Cl2NO3 — CID 69154032

About 2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline

2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline (PubChem CID 69154032) has the molecular formula C36H39Cl2NO3 and a molecular weight of 604.62 g/mol. Its IUPAC name is 2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
• PubChem CID: 69154032
• Molecular Formula: C36H39Cl2NO3
• Molecular Weight: 604.62 g/mol
• Exact Mass: 603.23
• IUPAC Name: 2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
• SMILES: COc1ccccc1-c1ccc2c(c1)C(C(C)OCCc1ccc(Cl)cc1)=CC(C)(C)N2.OCCc1ccc(Cl)cc1
• InChI: InChI=1S/C28H30ClNO2.C8H9ClO/c1-19(32-16-15-20-9-12-22(29)13-10-20)25-18-28(2,3)30-26-14-11-21(17-24(25)26)23-7-5-6-8-27(23)31-4;9-8-3-1-7(2-4-8)5-6-10/h5-14,17-19,30H,15-16H2,1-4H3;1-4,10H,5-6H2
• InChIKey: ASBWQQYKXFYLFU-UHFFFAOYSA-N
• XLogP: 9.13
• TPSA: 50.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.62
LogP ≤ 5	9.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline?

The IUPAC name of 2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline (CID 69154032) is 2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline.

What is the SMILES notation for 2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline?

The canonical SMILES for 2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline is COc1ccccc1-c1ccc2c(c1)C(C(C)OCCc1ccc(Cl)cc1)=CC(C)(C)N2.OCCc1ccc(Cl)cc1.

What is the InChIKey of 2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline?

The InChIKey is ASBWQQYKXFYLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClNO2.C8H9ClO/c1-19(32-16-15-20-9-12-22(29)13-10-20)25-18-28(2,3)30-26-14-11-21(17-24(25)26)23-7-5-6-8-27(23)31-4;9-8-3-1-7(2-4-8)5-6-10/h5-14,17-19,30H,15-16H2,1-4H3;1-4,10H,5-6H2.

What are the key properties of 2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline?

2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline has a molecular weight of 604.62 g/mol, XLogP of 9.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline is sourced from PubChem (CID 69154032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).