2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane

C28H37FO3 — CID 18997842

IUPAC2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane
SMILESCOCCCC1COC(C2CCC(CCc3ccc(-c4ccc(F)cc4)cc3)CC2)OC1
InChIInChI=1S/C28H37FO3/c1-30-18-2-3-23-19-31-28(32-20-23)26-12-8-22(9-13-26)5-4-21-6-10-24(11-7-21)25-14-16-27(29)17-15-25/h6-7,10-11,14-17,22-23,26,28H,2-5,8-9,12-13,18-20H2,1H3
InChIKeyXVJBTINXQKEYLH-UHFFFAOYSA-N
MW440.60 g/mol
LogP6.65
Rot. Bonds9

About 2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane

2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane (PubChem CID 18997842) has the molecular formula C28H37FO3 and a molecular weight of 440.60 g/mol. Its IUPAC name is 2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane.

Molecular Properties

Compound Name2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane
PubChem CID18997842
Molecular FormulaC28H37FO3
Molecular Weight440.60 g/mol
Exact Mass440.27
IUPAC Name2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane
SMILESCOCCCC1COC(C2CCC(CCc3ccc(-c4ccc(F)cc4)cc3)CC2)OC1
InChIInChI=1S/C28H37FO3/c1-30-18-2-3-23-19-31-28(32-20-23)26-12-8-22(9-13-26)5-4-21-6-10-24(11-7-21)25-14-16-27(29)17-15-25/h6-7,10-11,14-17,22-23,26,28H,2-5,8-9,12-13,18-20H2,1H3
InChIKeyXVJBTINXQKEYLH-UHFFFAOYSA-N
XLogP6.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.60
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane 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-(4-fluorophenyl)-5-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]pyrimidine
CID 18997898
2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]-1,3-dioxane
CID 18997894
2-[4-[2-[3-fluoro-4-[2-[2-[2-fluoro-4-[2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]phenyl]ethyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 139711218
1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene
CID 57241034
4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane
CID 123190517
1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene
CID 57067777
CID 23364708
CID 23364708
4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane
CID 54468401
4-[2-(4-fluorophenyl)ethyl]oxane
CID 141096687
CID 23364825
CID 23364825
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene
CID 21265275
1-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]-4-[4-(2-methoxyethyl)phenyl]benzene
CID 54002608

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane?
The IUPAC name of 2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane (CID 18997842) is 2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane.
What is the SMILES notation for 2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane?
The canonical SMILES for 2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane is COCCCC1COC(C2CCC(CCc3ccc(-c4ccc(F)cc4)cc3)CC2)OC1.
What is the InChIKey of 2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane?
The InChIKey is XVJBTINXQKEYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FO3/c1-30-18-2-3-23-19-31-28(32-20-23)26-12-8-22(9-13-26)5-4-21-6-10-24(11-7-21)25-14-16-27(29)17-15-25/h6-7,10-11,14-17,22-23,26,28H,2-5,8-9,12-13,18-20H2,1H3.
What are the key properties of 2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane?
2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane has a molecular weight of 440.60 g/mol, XLogP of 6.65, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane is sourced from PubChem (CID 18997842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).