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

C11H12O3 — CID 67023118

IUPAC2-(3-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine
SMILESCOC1=CCCC(C2=COC=CO2)=C1
InChIInChI=1S/C11H12O3/c1-12-10-4-2-3-9(7-10)11-8-13-5-6-14-11/h4-8H,2-3H2,1H3
InChIKeyCMFRJBHKCLEBCZ-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.60
Rot. Bonds2

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

2-(3-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine (PubChem CID 67023118) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(3-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine.

Molecular Properties

Compound Name2-(3-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine
PubChem CID67023118
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(3-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine
SMILESCOC1=CCCC(C2=COC=CO2)=C1
InChIInChI=1S/C11H12O3/c1-12-10-4-2-3-9(7-10)11-8-13-5-6-14-11/h4-8H,2-3H2,1H3
InChIKeyCMFRJBHKCLEBCZ-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

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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-(3-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The IUPAC name of 2-(3-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine (CID 67023118) is 2-(3-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine.
What is the SMILES notation for 2-(3-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The canonical SMILES for 2-(3-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine is COC1=CCCC(C2=COC=CO2)=C1.
What is the InChIKey of 2-(3-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The InChIKey is CMFRJBHKCLEBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-12-10-4-2-3-9(7-10)11-8-13-5-6-14-11/h4-8H,2-3H2,1H3.
What are the key properties of 2-(3-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine?
2-(3-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-(3-methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine is sourced from PubChem (CID 67023118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).