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

C11H12O3 — CID 67044083

IUPAC(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol
SMILESOCC1=COC=C(C2=CC=CCC2)O1
InChIInChI=1S/C11H12O3/c12-6-10-7-13-8-11(14-10)9-4-2-1-3-5-9/h1-2,4,7-8,12H,3,5-6H2
InChIKeySHPZLBQTLJSUJW-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.98
Rot. Bonds2

About (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol

(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol (PubChem CID 67044083) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol.

Molecular Properties

Compound Name(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol
PubChem CID67044083
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol
SMILESOCC1=COC=C(C2=CC=CCC2)O1
InChIInChI=1S/C11H12O3/c12-6-10-7-13-8-11(14-10)9-4-2-1-3-5-9/h1-2,4,7-8,12H,3,5-6H2
InChIKeySHPZLBQTLJSUJW-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 (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol?
The IUPAC name of (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol (CID 67044083) is (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol.
What is the SMILES notation for (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol?
The canonical SMILES for (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol is OCC1=COC=C(C2=CC=CCC2)O1.
What is the InChIKey of (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol?
The InChIKey is SHPZLBQTLJSUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-6-10-7-13-8-11(14-10)9-4-2-1-3-5-9/h1-2,4,7-8,12H,3,5-6H2.
What are the key properties of (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol?
(6-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 (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol is sourced from PubChem (CID 67044083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).