2-(2-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine

C11H12O3 — CID 66787530

IUPAC2-(2-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine
SMILESCOC1=C(C2=COC=CO2)CCC=C1
InChIInChI=1S/C11H12O3/c1-12-10-5-3-2-4-9(10)11-8-13-6-7-14-11/h3,5-8H,2,4H2,1H3
InChIKeyDFNHJYXNZBDDIE-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.60
Rot. Bonds2

About 2-(2-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine

2-(2-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine (PubChem CID 66787530) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(2-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine.

Molecular Properties

Compound Name2-(2-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine
PubChem CID66787530
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(2-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine
SMILESCOC1=C(C2=COC=CO2)CCC=C1
InChIInChI=1S/C11H12O3/c1-12-10-5-3-2-4-9(10)11-8-13-6-7-14-11/h3,5-8H,2,4H2,1H3
InChIKeyDFNHJYXNZBDDIE-UHFFFAOYSA-N
XLogP2.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1)Benzopyrano(5,4,3-cde)(1)benzopyran
CID 6451338
2,7-Dimethoxybiphenylene
CID 11287311
Dimethoxycyclohexadiene
CID 14358150
Dihydrodibenz[b,e]-oxepine
CID 87554976
(2E,3Z)-2,3-bis(prop-2-enylidene)oxane
CID 129027469
7,8-Dihydrochromene
CID 143029736
3-Methoxy-1-methyl-1,3-cyclohexadiene
CID 145334
1H-Dibenzo(b,d)pyran
CID 6451388
2-(2-Fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
CID 57454155
2-(3-Fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
CID 57454156
2-(5,5,6,6-Tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
CID 87538226
(2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane
CID 134289672

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The IUPAC name of 2-(2-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine (CID 66787530) is 2-(2-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine.
What is the SMILES notation for 2-(2-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The canonical SMILES for 2-(2-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine is COC1=C(C2=COC=CO2)CCC=C1.
What is the InChIKey of 2-(2-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The InChIKey is DFNHJYXNZBDDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-12-10-5-3-2-4-9(10)11-8-13-6-7-14-11/h3,5-8H,2,4H2,1H3.
What are the key properties of 2-(2-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine?
2-(2-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine has a molecular weight of 192.21 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine is sourced from PubChem (CID 66787530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).