2-(2-methoxy-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine

C14H16O3 — CID 67053445

IUPAC2-(2-methoxy-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine
SMILESC=C(C)C1=CCCC(C2=COC=CO2)=C1OC
InChIInChI=1S/C14H16O3/c1-10(2)11-5-4-6-12(14(11)15-3)13-9-16-7-8-17-13/h5,7-9H,1,4,6H2,2-3H3
InChIKeyZARMIPLCMWAYJR-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.54
Rot. Bonds3

About 2-(2-methoxy-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine

2-(2-methoxy-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine (PubChem CID 67053445) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-methoxy-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine.

Molecular Properties

Compound Name2-(2-methoxy-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine
PubChem CID67053445
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-(2-methoxy-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine
SMILESC=C(C)C1=CCCC(C2=COC=CO2)=C1OC
InChIInChI=1S/C14H16O3/c1-10(2)11-5-4-6-12(14(11)15-3)13-9-16-7-8-17-13/h5,7-9H,1,4,6H2,2-3H3
InChIKeyZARMIPLCMWAYJR-UHFFFAOYSA-N
XLogP3.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The IUPAC name of 2-(2-methoxy-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine (CID 67053445) is 2-(2-methoxy-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine.
What is the SMILES notation for 2-(2-methoxy-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The canonical SMILES for 2-(2-methoxy-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine is C=C(C)C1=CCCC(C2=COC=CO2)=C1OC.
What is the InChIKey of 2-(2-methoxy-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The InChIKey is ZARMIPLCMWAYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-10(2)11-5-4-6-12(14(11)15-3)13-9-16-7-8-17-13/h5,7-9H,1,4,6H2,2-3H3.
What are the key properties of 2-(2-methoxy-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine?
2-(2-methoxy-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine has a molecular weight of 232.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine is sourced from PubChem (CID 67053445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).