6-methoxy-4,8-dimethylazulene

C13H14O — CID 23270131

IUPAC6-methoxy-4,8-dimethylazulene
SMILESCOc1cc(C)c2cccc-2c(C)c1
InChIInChI=1S/C13H14O/c1-9-7-11(14-3)8-10(2)13-6-4-5-12(9)13/h4-8H,1-3H3
InChIKeyWQLIRTJMAPFXDR-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.42
Rot. Bonds1

About 6-methoxy-4,8-dimethylazulene

6-methoxy-4,8-dimethylazulene (PubChem CID 23270131) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-methoxy-4,8-dimethylazulene.

Molecular Properties

Compound Name6-methoxy-4,8-dimethylazulene
PubChem CID23270131
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name6-methoxy-4,8-dimethylazulene
SMILESCOc1cc(C)c2cccc-2c(C)c1
InChIInChI=1S/C13H14O/c1-9-7-11(14-3)8-10(2)13-6-4-5-12(9)13/h4-8H,1-3H3
InChIKeyWQLIRTJMAPFXDR-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4,8-dimethylazulene?
The IUPAC name of 6-methoxy-4,8-dimethylazulene (CID 23270131) is 6-methoxy-4,8-dimethylazulene.
What is the SMILES notation for 6-methoxy-4,8-dimethylazulene?
The canonical SMILES for 6-methoxy-4,8-dimethylazulene is COc1cc(C)c2cccc-2c(C)c1.
What is the InChIKey of 6-methoxy-4,8-dimethylazulene?
The InChIKey is WQLIRTJMAPFXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-9-7-11(14-3)8-10(2)13-6-4-5-12(9)13/h4-8H,1-3H3.
What are the key properties of 6-methoxy-4,8-dimethylazulene?
6-methoxy-4,8-dimethylazulene has a molecular weight of 186.25 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4,8-dimethylazulene is sourced from PubChem (CID 23270131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).