6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol

C24H29FO2 — CID 70651839

About 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol

6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol (PubChem CID 70651839) has the molecular formula C24H29FO2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol.

Molecular Properties

• Compound Name: 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol
• PubChem CID: 70651839
• Molecular Formula: C24H29FO2
• Molecular Weight: 368.49 g/mol
• Exact Mass: 368.22
• IUPAC Name: 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol
• SMILES: COc1ccc2c(c1)CCCC(c1ccc(F)cc1)=C2CCCCCCO
• InChI: InChI=1S/C24H29FO2/c1-27-21-14-15-23-19(17-21)7-6-9-22(18-10-12-20(25)13-11-18)24(23)8-4-2-3-5-16-26/h10-15,17,26H,2-9,16H2,1H3
• InChIKey: GATHQKAOXHVQTD-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.49
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol?

The IUPAC name of 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol (CID 70651839) is 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol.

What is the SMILES notation for 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol?

The canonical SMILES for 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol is COc1ccc2c(c1)CCCC(c1ccc(F)cc1)=C2CCCCCCO.

What is the InChIKey of 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol?

The InChIKey is GATHQKAOXHVQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FO2/c1-27-21-14-15-23-19(17-21)7-6-9-22(18-10-12-20(25)13-11-18)24(23)8-4-2-3-5-16-26/h10-15,17,26H,2-9,16H2,1H3.

What are the key properties of 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol?

6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol has a molecular weight of 368.49 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol is sourced from PubChem (CID 70651839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).