2-[(E)-2-(2-methylphenyl)ethenyl]-1,4-dioxane

C13H16O2 — CID 162408658

IUPAC2-[(E)-2-(2-methylphenyl)ethenyl]-1,4-dioxane
SMILESCc1ccccc1/C=C/C1COCCO1
InChIInChI=1S/C13H16O2/c1-11-4-2-3-5-12(11)6-7-13-10-14-8-9-15-13/h2-7,13H,8-10H2,1H3/b7-6+
InChIKeyXGRPHTABHLAOKQ-VOTSOKGWSA-N
MW204.27 g/mol
LogP2.42
Rot. Bonds2

About 2-[(E)-2-(2-methylphenyl)ethenyl]-1,4-dioxane

2-[(E)-2-(2-methylphenyl)ethenyl]-1,4-dioxane (PubChem CID 162408658) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[(E)-2-(2-methylphenyl)ethenyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[(E)-2-(2-methylphenyl)ethenyl]-1,4-dioxane
PubChem CID162408658
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-[(E)-2-(2-methylphenyl)ethenyl]-1,4-dioxane
SMILESCc1ccccc1/C=C/C1COCCO1
InChIInChI=1S/C13H16O2/c1-11-4-2-3-5-12(11)6-7-13-10-14-8-9-15-13/h2-7,13H,8-10H2,1H3/b7-6+
InChIKeyXGRPHTABHLAOKQ-VOTSOKGWSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane
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2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,4-dioxane
CID 162408232
(3-Methoxy-1-methylbut-1-enyl)benzene
CID 5373737
1-Phenyl-3-methoxy-1,5-hexadiene
CID 10877899
4-Phenyl-6-(propan-2-yl)-3,6-dihydro-2H-pyran
CID 12381646
2-methyl-6-[(E)-2-phenylethenyl]oxane
CID 13619978
(2S,6R)-2-methyl-6-[(E)-2-phenylethenyl]oxane
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2-[(E)-2-phenylethenyl]-1,4-dioxane
CID 88468465
Phenylvinylather
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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-methylphenyl)ethenyl]-1,4-dioxane?
The IUPAC name of 2-[(E)-2-(2-methylphenyl)ethenyl]-1,4-dioxane (CID 162408658) is 2-[(E)-2-(2-methylphenyl)ethenyl]-1,4-dioxane.
What is the SMILES notation for 2-[(E)-2-(2-methylphenyl)ethenyl]-1,4-dioxane?
The canonical SMILES for 2-[(E)-2-(2-methylphenyl)ethenyl]-1,4-dioxane is Cc1ccccc1/C=C/C1COCCO1.
What is the InChIKey of 2-[(E)-2-(2-methylphenyl)ethenyl]-1,4-dioxane?
The InChIKey is XGRPHTABHLAOKQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H16O2/c1-11-4-2-3-5-12(11)6-7-13-10-14-8-9-15-13/h2-7,13H,8-10H2,1H3/b7-6+.
What are the key properties of 2-[(E)-2-(2-methylphenyl)ethenyl]-1,4-dioxane?
2-[(E)-2-(2-methylphenyl)ethenyl]-1,4-dioxane has a molecular weight of 204.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-methylphenyl)ethenyl]-1,4-dioxane is sourced from PubChem (CID 162408658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).