chloromethane;5-methylfuran-2-carbaldehyde

C7H9ClO2 — CID 144843774

IUPACchloromethane;5-methylfuran-2-carbaldehyde
SMILESCCl.Cc1ccc(C=O)o1
InChIInChI=1S/C6H6O2.CH3Cl/c1-5-2-3-6(4-7)8-5;1-2/h2-4H,1H3;1H3
InChIKeyGMJCQIZYKSYBDF-UHFFFAOYSA-N
MW160.60 g/mol
LogP2.26
Rot. Bonds1

About chloromethane;5-methylfuran-2-carbaldehyde

chloromethane;5-methylfuran-2-carbaldehyde (PubChem CID 144843774) has the molecular formula C7H9ClO2 and a molecular weight of 160.60 g/mol. Its IUPAC name is chloromethane;5-methylfuran-2-carbaldehyde.

Molecular Properties

Compound Namechloromethane;5-methylfuran-2-carbaldehyde
PubChem CID144843774
Molecular FormulaC7H9ClO2
Molecular Weight160.60 g/mol
Exact Mass160.03
IUPAC Namechloromethane;5-methylfuran-2-carbaldehyde
SMILESCCl.Cc1ccc(C=O)o1
InChIInChI=1S/C6H6O2.CH3Cl/c1-5-2-3-6(4-7)8-5;1-2/h2-4H,1H3;1H3
InChIKeyGMJCQIZYKSYBDF-UHFFFAOYSA-N
XLogP2.26
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethane;5-methylfuran-2-carbaldehyde?
The IUPAC name of chloromethane;5-methylfuran-2-carbaldehyde (CID 144843774) is chloromethane;5-methylfuran-2-carbaldehyde.
What is the SMILES notation for chloromethane;5-methylfuran-2-carbaldehyde?
The canonical SMILES for chloromethane;5-methylfuran-2-carbaldehyde is CCl.Cc1ccc(C=O)o1.
What is the InChIKey of chloromethane;5-methylfuran-2-carbaldehyde?
The InChIKey is GMJCQIZYKSYBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.CH3Cl/c1-5-2-3-6(4-7)8-5;1-2/h2-4H,1H3;1H3.
What are the key properties of chloromethane;5-methylfuran-2-carbaldehyde?
chloromethane;5-methylfuran-2-carbaldehyde has a molecular weight of 160.60 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;5-methylfuran-2-carbaldehyde is sourced from PubChem (CID 144843774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).