2-(chloromethyl)azulene

C11H9Cl — CID 58786145

IUPAC2-(chloromethyl)azulene
SMILESClCc1cc2cccccc-2c1
InChIInChI=1S/C11H9Cl/c12-8-9-6-10-4-2-1-3-5-11(10)7-9/h1-7H,8H2
InChIKeyBSJGFUQAUZBOJH-UHFFFAOYSA-N
MW176.65 g/mol
LogP3.53
Rot. Bonds1

About 2-(chloromethyl)azulene

2-(chloromethyl)azulene (PubChem CID 58786145) has the molecular formula C11H9Cl and a molecular weight of 176.65 g/mol. Its IUPAC name is 2-(chloromethyl)azulene.

Molecular Properties

Compound Name2-(chloromethyl)azulene
PubChem CID58786145
Molecular FormulaC11H9Cl
Molecular Weight176.65 g/mol
Exact Mass176.04
IUPAC Name2-(chloromethyl)azulene
SMILESClCc1cc2cccccc-2c1
InChIInChI=1S/C11H9Cl/c12-8-9-6-10-4-2-1-3-5-11(10)7-9/h1-7H,8H2
InChIKeyBSJGFUQAUZBOJH-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)azulene?
The IUPAC name of 2-(chloromethyl)azulene (CID 58786145) is 2-(chloromethyl)azulene.
What is the SMILES notation for 2-(chloromethyl)azulene?
The canonical SMILES for 2-(chloromethyl)azulene is ClCc1cc2cccccc-2c1.
What is the InChIKey of 2-(chloromethyl)azulene?
The InChIKey is BSJGFUQAUZBOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl/c12-8-9-6-10-4-2-1-3-5-11(10)7-9/h1-7H,8H2.
What are the key properties of 2-(chloromethyl)azulene?
2-(chloromethyl)azulene has a molecular weight of 176.65 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)azulene is sourced from PubChem (CID 58786145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).