[2-(1,4-dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol

C11H12O3 — CID 67023127

IUPAC[2-(1,4-dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol
SMILESOCC1=C(C2=COC=CO2)CCC=C1
InChIInChI=1S/C11H12O3/c12-7-9-3-1-2-4-10(9)11-8-13-5-6-14-11/h1,3,5-6,8,12H,2,4,7H2
InChIKeyDZCWRUMPZBRIHO-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.98
Rot. Bonds2

About [2-(1,4-dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol

[2-(1,4-dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol (PubChem CID 67023127) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is [2-(1,4-dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol.

Molecular Properties

Compound Name[2-(1,4-dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol
PubChem CID67023127
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name[2-(1,4-dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol
SMILESOCC1=C(C2=COC=CO2)CCC=C1
InChIInChI=1S/C11H12O3/c12-7-9-3-1-2-4-10(9)11-8-13-5-6-14-11/h1,3,5-6,8,12H,2,4,7H2
InChIKeyDZCWRUMPZBRIHO-UHFFFAOYSA-N
XLogP1.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol?
The IUPAC name of [2-(1,4-dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol (CID 67023127) is [2-(1,4-dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol.
What is the SMILES notation for [2-(1,4-dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol?
The canonical SMILES for [2-(1,4-dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol is OCC1=C(C2=COC=CO2)CCC=C1.
What is the InChIKey of [2-(1,4-dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol?
The InChIKey is DZCWRUMPZBRIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-7-9-3-1-2-4-10(9)11-8-13-5-6-14-11/h1,3,5-6,8,12H,2,4,7H2.
What are the key properties of [2-(1,4-dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol?
[2-(1,4-dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol has a molecular weight of 192.21 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol is sourced from PubChem (CID 67023127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).