2-methoxy-6-(8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol

C25H23NO3 — CID 17238373

About 2-methoxy-6-(8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol

2-methoxy-6-(8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol (PubChem CID 17238373) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-methoxy-6-(8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol.

Molecular Properties

• Compound Name: 2-methoxy-6-(8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol
• PubChem CID: 17238373
• Molecular Formula: C25H23NO3
• Molecular Weight: 385.46 g/mol
• Exact Mass: 385.17
• IUPAC Name: 2-methoxy-6-(8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol
• SMILES: COc1cccc(C2Nc3ccc(Oc4ccccc4)cc3C3C=CCC32)c1O
• InChI: InChI=1S/C25H23NO3/c1-28-23-12-6-11-20(25(23)27)24-19-10-5-9-18(19)21-15-17(13-14-22(21)26-24)29-16-7-3-2-4-8-16/h2-9,11-15,18-19,24,26-27H,10H2,1H3
• InChIKey: OKZDTCBXMPVCOU-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 50.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.46
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol?

The IUPAC name of 2-methoxy-6-(8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol (CID 17238373) is 2-methoxy-6-(8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol.

What is the SMILES notation for 2-methoxy-6-(8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol?

The canonical SMILES for 2-methoxy-6-(8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol is COc1cccc(C2Nc3ccc(Oc4ccccc4)cc3C3C=CCC32)c1O.

What is the InChIKey of 2-methoxy-6-(8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol?

The InChIKey is OKZDTCBXMPVCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-28-23-12-6-11-20(25(23)27)24-19-10-5-9-18(19)21-15-17(13-14-22(21)26-24)29-16-7-3-2-4-8-16/h2-9,11-15,18-19,24,26-27H,10H2,1H3.

What are the key properties of 2-methoxy-6-(8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol?

2-methoxy-6-(8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol has a molecular weight of 385.46 g/mol, XLogP of 6.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-6-(8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol is sourced from PubChem (CID 17238373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).