2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C26H39FO — CID 139869390

IUPAC2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCC1CCC2CC(C3CCC(c4ccc(OC)cc4F)CC3)CCC2C1
InChIInChI=1S/C26H39FO/c1-3-4-18-5-6-23-16-22(12-11-21(23)15-18)19-7-9-20(10-8-19)25-14-13-24(28-2)17-26(25)27/h13-14,17-23H,3-12,15-16H2,1-2H3
InChIKeyOGRJQHYIKDVVDB-UHFFFAOYSA-N
MW386.60 g/mol
LogP7.74
Rot. Bonds5

About 2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 139869390) has the molecular formula C26H39FO and a molecular weight of 386.60 g/mol. Its IUPAC name is 2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID139869390
Molecular FormulaC26H39FO
Molecular Weight386.60 g/mol
Exact Mass386.30
IUPAC Name2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCC1CCC2CC(C3CCC(c4ccc(OC)cc4F)CC3)CCC2C1
InChIInChI=1S/C26H39FO/c1-3-4-18-5-6-23-16-22(12-11-21(23)15-18)19-7-9-20(10-8-19)25-14-13-24(28-2)17-26(25)27/h13-14,17-23H,3-12,15-16H2,1-2H3
InChIKeyOGRJQHYIKDVVDB-UHFFFAOYSA-N
XLogP7.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.60
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(4-butylcyclohexyl)ethyl]-6-(4-ethoxy-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837341
2-(4-ethenylcyclohexyl)-6-(2-fluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869567
2-[4-(2-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870658
5-(2-fluoro-4-methoxyphenyl)-2-propyloxane
CID 144733899
(4-chlorophenyl) 3-fluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)benzoate
CID 22384926
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868521
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
2-[2-fluoro-4-(4-methoxyphenyl)phenyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867684
1,7-difluoro-2-methoxy-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22384314
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene
CID 139863294

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 139869390) is 2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCCC1CCC2CC(C3CCC(c4ccc(OC)cc4F)CC3)CCC2C1.
What is the InChIKey of 2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is OGRJQHYIKDVVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39FO/c1-3-4-18-5-6-23-16-22(12-11-21(23)15-18)19-7-9-20(10-8-19)25-14-13-24(28-2)17-26(25)27/h13-14,17-23H,3-12,15-16H2,1-2H3.
What are the key properties of 2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 386.60 g/mol, XLogP of 7.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 139869390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).