2-[2-(cyclohexen-1-yl)phenyl]-1,4-dioxine

C16H16O2 — CID 70194801

IUPAC2-[2-(cyclohexen-1-yl)phenyl]-1,4-dioxine
SMILESC1=COC(c2ccccc2C2=CCCCC2)=CO1
InChIInChI=1S/C16H16O2/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)16-12-17-10-11-18-16/h4-6,8-12H,1-3,7H2
InChIKeyYEMLKJICSDRFOS-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.46
Rot. Bonds2

About 2-[2-(cyclohexen-1-yl)phenyl]-1,4-dioxine

2-[2-(cyclohexen-1-yl)phenyl]-1,4-dioxine (PubChem CID 70194801) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)phenyl]-1,4-dioxine.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)phenyl]-1,4-dioxine
PubChem CID70194801
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-[2-(cyclohexen-1-yl)phenyl]-1,4-dioxine
SMILESC1=COC(c2ccccc2C2=CCCCC2)=CO1
InChIInChI=1S/C16H16O2/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)16-12-17-10-11-18-16/h4-6,8-12H,1-3,7H2
InChIKeyYEMLKJICSDRFOS-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)phenyl]-1,4-dioxine?
The IUPAC name of 2-[2-(cyclohexen-1-yl)phenyl]-1,4-dioxine (CID 70194801) is 2-[2-(cyclohexen-1-yl)phenyl]-1,4-dioxine.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)phenyl]-1,4-dioxine?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)phenyl]-1,4-dioxine is C1=COC(c2ccccc2C2=CCCCC2)=CO1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)phenyl]-1,4-dioxine?
The InChIKey is YEMLKJICSDRFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)16-12-17-10-11-18-16/h4-6,8-12H,1-3,7H2.
What are the key properties of 2-[2-(cyclohexen-1-yl)phenyl]-1,4-dioxine?
2-[2-(cyclohexen-1-yl)phenyl]-1,4-dioxine has a molecular weight of 240.30 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)phenyl]-1,4-dioxine is sourced from PubChem (CID 70194801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).