2-methoxyazulene

C11H10O — CID 10909835

IUPAC2-methoxyazulene
SMILESCOc1cc2cccccc-2c1
InChIInChI=1S/C11H10O/c1-12-11-7-9-5-3-2-4-6-10(9)8-11/h2-8H,1H3
InChIKeyGZNQLJUHQULRFL-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.80
Rot. Bonds1

About 2-methoxyazulene

2-methoxyazulene (PubChem CID 10909835) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-methoxyazulene.

Molecular Properties

Compound Name2-methoxyazulene
PubChem CID10909835
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name2-methoxyazulene
SMILESCOc1cc2cccccc-2c1
InChIInChI=1S/C11H10O/c1-12-11-7-9-5-3-2-4-6-10(9)8-11/h2-8H,1H3
InChIKeyGZNQLJUHQULRFL-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyazulene?
The IUPAC name of 2-methoxyazulene (CID 10909835) is 2-methoxyazulene.
What is the SMILES notation for 2-methoxyazulene?
The canonical SMILES for 2-methoxyazulene is COc1cc2cccccc-2c1.
What is the InChIKey of 2-methoxyazulene?
The InChIKey is GZNQLJUHQULRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-12-11-7-9-5-3-2-4-6-10(9)8-11/h2-8H,1H3.
What are the key properties of 2-methoxyazulene?
2-methoxyazulene has a molecular weight of 158.20 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyazulene is sourced from PubChem (CID 10909835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).