2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane

C28H38O2 — CID 70410242

IUPAC2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
SMILESCCCc1ccc(C2COC(c3ccc(C4CCC(CCC)CC4)cc3)OC2)cc1
InChIInChI=1S/C28H38O2/c1-3-5-21-7-11-23(12-8-21)24-15-17-26(18-16-24)28-29-19-27(20-30-28)25-13-9-22(6-4-2)10-14-25/h9-10,13-18,21,23,27-28H,3-8,11-12,19-20H2,1-2H3
InChIKeyNWICTUJCTLAGNW-UHFFFAOYSA-N
MW406.61 g/mol
LogP7.54
Rot. Bonds7

About 2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane

2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane (PubChem CID 70410242) has the molecular formula C28H38O2 and a molecular weight of 406.61 g/mol. Its IUPAC name is 2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
PubChem CID70410242
Molecular FormulaC28H38O2
Molecular Weight406.61 g/mol
Exact Mass406.29
IUPAC Name2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
SMILESCCCc1ccc(C2COC(c3ccc(C4CCC(CCC)CC4)cc3)OC2)cc1
InChIInChI=1S/C28H38O2/c1-3-5-21-7-11-23(12-8-21)24-15-17-26(18-16-24)28-29-19-27(20-30-28)25-13-9-22(6-4-2)10-14-25/h9-10,13-18,21,23,27-28H,3-8,11-12,19-20H2,1-2H3
InChIKeyNWICTUJCTLAGNW-UHFFFAOYSA-N
XLogP7.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.61
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-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

5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane
CID 70408940
2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane
CID 58620526
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
2-(4-pent-4-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane
CID 139780584
4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile
CID 67894424
2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane
CID 139780813
5-propyl-2-[4-[4-(4-propylcyclohexyl)but-3-enyl]phenyl]-1,3-dioxane
CID 56627238
5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane
CID 89008540
5-(4-butylphenyl)-2-phenyl-1,3-dioxane
CID 141451860
3-(4-propylphenyl)oxetane
CID 130361103
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane?
The IUPAC name of 2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane (CID 70410242) is 2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane.
What is the SMILES notation for 2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane?
The canonical SMILES for 2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane is CCCc1ccc(C2COC(c3ccc(C4CCC(CCC)CC4)cc3)OC2)cc1.
What is the InChIKey of 2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane?
The InChIKey is NWICTUJCTLAGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O2/c1-3-5-21-7-11-23(12-8-21)24-15-17-26(18-16-24)28-29-19-27(20-30-28)25-13-9-22(6-4-2)10-14-25/h9-10,13-18,21,23,27-28H,3-8,11-12,19-20H2,1-2H3.
What are the key properties of 2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane?
2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane has a molecular weight of 406.61 g/mol, XLogP of 7.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane is sourced from PubChem (CID 70410242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).