1-chloro-2-methylazulene

C11H9Cl — CID 11073944

IUPAC1-chloro-2-methylazulene
SMILESCc1cc2cccccc-2c1Cl
InChIInChI=1S/C11H9Cl/c1-8-7-9-5-3-2-4-6-10(9)11(8)12/h2-7H,1H3
InChIKeyZDRDPKAFSOYXLF-UHFFFAOYSA-N
MW176.65 g/mol
LogP3.75
Rot. Bonds

About 1-chloro-2-methylazulene

1-chloro-2-methylazulene (PubChem CID 11073944) has the molecular formula C11H9Cl and a molecular weight of 176.65 g/mol. Its IUPAC name is 1-chloro-2-methylazulene.

Molecular Properties

Compound Name1-chloro-2-methylazulene
PubChem CID11073944
Molecular FormulaC11H9Cl
Molecular Weight176.65 g/mol
Exact Mass176.04
IUPAC Name1-chloro-2-methylazulene
SMILESCc1cc2cccccc-2c1Cl
InChIInChI=1S/C11H9Cl/c1-8-7-9-5-3-2-4-6-10(9)11(8)12/h2-7H,1H3
InChIKeyZDRDPKAFSOYXLF-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylazulene?
The IUPAC name of 1-chloro-2-methylazulene (CID 11073944) is 1-chloro-2-methylazulene.
What is the SMILES notation for 1-chloro-2-methylazulene?
The canonical SMILES for 1-chloro-2-methylazulene is Cc1cc2cccccc-2c1Cl.
What is the InChIKey of 1-chloro-2-methylazulene?
The InChIKey is ZDRDPKAFSOYXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl/c1-8-7-9-5-3-2-4-6-10(9)11(8)12/h2-7H,1H3.
What are the key properties of 1-chloro-2-methylazulene?
1-chloro-2-methylazulene has a molecular weight of 176.65 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylazulene is sourced from PubChem (CID 11073944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).