6-ethoxyazulene

C12H12O — CID 11019330

IUPAC6-ethoxyazulene
SMILESCCOc1ccc2cccc-2cc1
InChIInChI=1S/C12H12O/c1-2-13-12-8-6-10-4-3-5-11(10)7-9-12/h3-9H,2H2,1H3
InChIKeyQUQJUDVDIGKTND-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.19
Rot. Bonds2

About 6-ethoxyazulene

6-ethoxyazulene (PubChem CID 11019330) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 6-ethoxyazulene.

Molecular Properties

Compound Name6-ethoxyazulene
PubChem CID11019330
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name6-ethoxyazulene
SMILESCCOc1ccc2cccc-2cc1
InChIInChI=1S/C12H12O/c1-2-13-12-8-6-10-4-3-5-11(10)7-9-12/h3-9H,2H2,1H3
InChIKeyQUQJUDVDIGKTND-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxyazulene?
The IUPAC name of 6-ethoxyazulene (CID 11019330) is 6-ethoxyazulene.
What is the SMILES notation for 6-ethoxyazulene?
The canonical SMILES for 6-ethoxyazulene is CCOc1ccc2cccc-2cc1.
What is the InChIKey of 6-ethoxyazulene?
The InChIKey is QUQJUDVDIGKTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-2-13-12-8-6-10-4-3-5-11(10)7-9-12/h3-9H,2H2,1H3.
What are the key properties of 6-ethoxyazulene?
6-ethoxyazulene has a molecular weight of 172.23 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxyazulene is sourced from PubChem (CID 11019330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).