2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane

C18H26O2 — CID 67980841

IUPAC2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
SMILESCC1CCC(CCc2ccc(C3OCCO3)cc2)CC1
InChIInChI=1S/C18H26O2/c1-14-2-4-15(5-3-14)6-7-16-8-10-17(11-9-16)18-19-12-13-20-18/h8-11,14-15,18H,2-7,12-13H2,1H3
InChIKeyWEOKRBJMGOAXQO-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.49
Rot. Bonds4

About 2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane

2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane (PubChem CID 67980841) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
PubChem CID67980841
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
SMILESCC1CCC(CCc2ccc(C3OCCO3)cc2)CC1
InChIInChI=1S/C18H26O2/c1-14-2-4-15(5-3-14)6-7-16-8-10-17(11-9-16)18-19-12-13-20-18/h8-11,14-15,18H,2-7,12-13H2,1H3
InChIKeyWEOKRBJMGOAXQO-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
CID 67980435
2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane
CID 67980476
CID 20632303
CID 20632303
2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine
CID 54217191
1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661
1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen
CID 159699937
ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 54345926
2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
CID 70410242
1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene
CID 19739243
1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 22886828
5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane
CID 70408940
1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole
CID 59549594

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
The IUPAC name of 2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane (CID 67980841) is 2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane is CC1CCC(CCc2ccc(C3OCCO3)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
The InChIKey is WEOKRBJMGOAXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-14-2-4-15(5-3-14)6-7-16-8-10-17(11-9-16)18-19-12-13-20-18/h8-11,14-15,18H,2-7,12-13H2,1H3.
What are the key properties of 2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane has a molecular weight of 274.40 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane is sourced from PubChem (CID 67980841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).