3-[(R)-hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-4,7,7-trimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol

C23H28F3NO3 — CID 162590706

About 3-[(R)-hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-4,7,7-trimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol

3-[(R)-hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-4,7,7-trimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol (PubChem CID 162590706) has the molecular formula C23H28F3NO3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 3-[(R)-hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-4,7,7-trimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol.

Molecular Properties

• Compound Name: 3-[(R)-hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-4,7,7-trimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol
• PubChem CID: 162590706
• Molecular Formula: C23H28F3NO3
• Molecular Weight: 423.48 g/mol
• Exact Mass: 423.20
• IUPAC Name: 3-[(R)-hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-4,7,7-trimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol
• SMILES: Cc1c2c(nc(C(C)C)c1[C@H](O)c1ccc(OC(F)(F)F)cc1)CC(C)(C)CC2O
• InChI: InChI=1S/C23H28F3NO3/c1-12(2)20-19(13(3)18-16(27-20)10-22(4,5)11-17(18)28)21(29)14-6-8-15(9-7-14)30-23(24,25)26/h6-9,12,17,21,28-29H,10-11H2,1-5H3/t17?,21-/m1/s1
• InChIKey: YSJTVKPAUQWTMI-FBLFFUNLSA-N
• XLogP: 5.50
• TPSA: 62.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.48
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-4,7,7-trimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol?

The IUPAC name of 3-[(R)-hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-4,7,7-trimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol (CID 162590706) is 3-[(R)-hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-4,7,7-trimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol.

What is the SMILES notation for 3-[(R)-hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-4,7,7-trimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol?

The canonical SMILES for 3-[(R)-hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-4,7,7-trimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol is Cc1c2c(nc(C(C)C)c1[C@H](O)c1ccc(OC(F)(F)F)cc1)CC(C)(C)CC2O.

What is the InChIKey of 3-[(R)-hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-4,7,7-trimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol?

The InChIKey is YSJTVKPAUQWTMI-FBLFFUNLSA-N. The full InChI is InChI=1S/C23H28F3NO3/c1-12(2)20-19(13(3)18-16(27-20)10-22(4,5)11-17(18)28)21(29)14-6-8-15(9-7-14)30-23(24,25)26/h6-9,12,17,21,28-29H,10-11H2,1-5H3/t17?,21-/m1/s1.

What are the key properties of 3-[(R)-hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-4,7,7-trimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol?

3-[(R)-hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-4,7,7-trimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol has a molecular weight of 423.48 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(R)-hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-4,7,7-trimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol is sourced from PubChem (CID 162590706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).