8-[2-cyclohex-3-en-1-yl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroquinolin-4-yl]octan-3-ol

C30H46FNO2 — CID 123540540

IUPAC8-[2-cyclohex-3-en-1-yl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroquinolin-4-yl]octan-3-ol
SMILESCCC(O)CCCCCC1=C2CC(C3C=C(F)C=CC3)CC(OC)C2NC(C2CC=CCC2)C1
InChIInChI=1S/C30H46FNO2/c1-3-26(33)16-9-5-8-13-23-19-28(21-11-6-4-7-12-21)32-30-27(23)18-24(20-29(30)34-2)22-14-10-15-25(31)17-22/h4,6,10,15,17,21-22,24,26,28-30,32-33H,3,5,7-9,11-14,16,18-20H2,1-2H3
InChIKeyVNRQYYUQKULZJE-UHFFFAOYSA-N
MW471.70 g/mol
LogP6.95
Rot. Bonds10

About 8-[2-cyclohex-3-en-1-yl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroquinolin-4-yl]octan-3-ol

8-[2-cyclohex-3-en-1-yl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroquinolin-4-yl]octan-3-ol (PubChem CID 123540540) has the molecular formula C30H46FNO2 and a molecular weight of 471.70 g/mol. Its IUPAC name is 8-[2-cyclohex-3-en-1-yl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroquinolin-4-yl]octan-3-ol.

Molecular Properties

Compound Name8-[2-cyclohex-3-en-1-yl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroquinolin-4-yl]octan-3-ol
PubChem CID123540540
Molecular FormulaC30H46FNO2
Molecular Weight471.70 g/mol
Exact Mass471.35
IUPAC Name8-[2-cyclohex-3-en-1-yl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroquinolin-4-yl]octan-3-ol
SMILESCCC(O)CCCCCC1=C2CC(C3C=C(F)C=CC3)CC(OC)C2NC(C2CC=CCC2)C1
InChIInChI=1S/C30H46FNO2/c1-3-26(33)16-9-5-8-13-23-19-28(21-11-6-4-7-12-21)32-30-27(23)18-24(20-29(30)34-2)22-14-10-15-25(31)17-22/h4,6,10,15,17,21-22,24,26,28-30,32-33H,3,5,7-9,11-14,16,18-20H2,1-2H3
InChIKeyVNRQYYUQKULZJE-UHFFFAOYSA-N
XLogP6.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.70
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[2-cyclohex-3-en-1-yl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroquinolin-4-yl]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[2-cyclohex-3-en-1-yl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroquinolin-4-yl]octan-3-ol?
The IUPAC name of 8-[2-cyclohex-3-en-1-yl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroquinolin-4-yl]octan-3-ol (CID 123540540) is 8-[2-cyclohex-3-en-1-yl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroquinolin-4-yl]octan-3-ol.
What is the SMILES notation for 8-[2-cyclohex-3-en-1-yl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroquinolin-4-yl]octan-3-ol?
The canonical SMILES for 8-[2-cyclohex-3-en-1-yl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroquinolin-4-yl]octan-3-ol is CCC(O)CCCCCC1=C2CC(C3C=C(F)C=CC3)CC(OC)C2NC(C2CC=CCC2)C1.
What is the InChIKey of 8-[2-cyclohex-3-en-1-yl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroquinolin-4-yl]octan-3-ol?
The InChIKey is VNRQYYUQKULZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46FNO2/c1-3-26(33)16-9-5-8-13-23-19-28(21-11-6-4-7-12-21)32-30-27(23)18-24(20-29(30)34-2)22-14-10-15-25(31)17-22/h4,6,10,15,17,21-22,24,26,28-30,32-33H,3,5,7-9,11-14,16,18-20H2,1-2H3.
What are the key properties of 8-[2-cyclohex-3-en-1-yl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroquinolin-4-yl]octan-3-ol?
8-[2-cyclohex-3-en-1-yl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroquinolin-4-yl]octan-3-ol has a molecular weight of 471.70 g/mol, XLogP of 6.95, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-cyclohex-3-en-1-yl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroquinolin-4-yl]octan-3-ol is sourced from PubChem (CID 123540540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).