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

C17H24O2 — CID 67980476

IUPAC2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane
SMILESc1cc(C2OCCO2)ccc1CCC1CCCCC1
InChIInChI=1S/C17H24O2/c1-2-4-14(5-3-1)6-7-15-8-10-16(11-9-15)17-18-12-13-19-17/h8-11,14,17H,1-7,12-13H2
InChIKeyVIUMUTCUCWFJRK-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.24
Rot. Bonds4

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

2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane (PubChem CID 67980476) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane
PubChem CID67980476
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane
SMILESc1cc(C2OCCO2)ccc1CCC1CCCCC1
InChIInChI=1S/C17H24O2/c1-2-4-14(5-3-1)6-7-15-8-10-16(11-9-15)17-18-12-13-19-17/h8-11,14,17H,1-7,12-13H2
InChIKeyVIUMUTCUCWFJRK-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzaldehyde propylene glycol acetal
CID 595928
(Diethoxymethyl)benzene
CID 69884
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
4-Methylbenzaldehyde propyleneglycol acetal
CID 94001
2-Phenyl-1,3-dioxolane
CID 70293
1,1-Dibenzyloxy-2-phenylethane
CID 95980
1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-
CID 3034278
Sdz 51641
CID 146329
2-Methyl-2-phenyl-1,3-dioxolane
CID 138006
Benzoin ethylene ketal
CID 243623
4-Phenyl-1,3-dioxolane
CID 70634

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane (CID 67980476) is 2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane is c1cc(C2OCCO2)ccc1CCC1CCCCC1.
What is the InChIKey of 2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane?
The InChIKey is VIUMUTCUCWFJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-2-4-14(5-3-1)6-7-15-8-10-16(11-9-15)17-18-12-13-19-17/h8-11,14,17H,1-7,12-13H2.
What are the key properties of 2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane?
2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane has a molecular weight of 260.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 67980476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).