(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol

C11H12O3 — CID 67338089

IUPAC(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol
SMILESOCC1=COC(C2=CC=CCC2)=CO1
InChIInChI=1S/C11H12O3/c12-6-10-7-14-11(8-13-10)9-4-2-1-3-5-9/h1-2,4,7-8,12H,3,5-6H2
InChIKeyQJLAEPIVBGDQMZ-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.98
Rot. Bonds2

About (5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol

(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol (PubChem CID 67338089) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol.

Molecular Properties

Compound Name(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol
PubChem CID67338089
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol
SMILESOCC1=COC(C2=CC=CCC2)=CO1
InChIInChI=1S/C11H12O3/c12-6-10-7-14-11(8-13-10)9-4-2-1-3-5-9/h1-2,4,7-8,12H,3,5-6H2
InChIKeyQJLAEPIVBGDQMZ-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 (5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol?
The IUPAC name of (5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol (CID 67338089) is (5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol.
What is the SMILES notation for (5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol?
The canonical SMILES for (5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol is OCC1=COC(C2=CC=CCC2)=CO1.
What is the InChIKey of (5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol?
The InChIKey is QJLAEPIVBGDQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-6-10-7-14-11(8-13-10)9-4-2-1-3-5-9/h1-2,4,7-8,12H,3,5-6H2.
What are the key properties of (5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol?
(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-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 (5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol is sourced from PubChem (CID 67338089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).