5-(chloromethyl)cyclopenta[c]pyran

C9H7ClO — CID 174818843

IUPAC5-(chloromethyl)cyclopenta[c]pyran
SMILESClCc1ccc2coccc1-2
InChIInChI=1S/C9H7ClO/c10-5-7-1-2-8-6-11-4-3-9(7)8/h1-4,6H,5H2
InChIKeyAKVKZUCADKJZDB-UHFFFAOYSA-N
MW166.61 g/mol
LogP3.12
Rot. Bonds1

About 5-(chloromethyl)cyclopenta[c]pyran

5-(chloromethyl)cyclopenta[c]pyran (PubChem CID 174818843) has the molecular formula C9H7ClO and a molecular weight of 166.61 g/mol. Its IUPAC name is 5-(chloromethyl)cyclopenta[c]pyran.

Molecular Properties

Compound Name5-(chloromethyl)cyclopenta[c]pyran
PubChem CID174818843
Molecular FormulaC9H7ClO
Molecular Weight166.61 g/mol
Exact Mass166.02
IUPAC Name5-(chloromethyl)cyclopenta[c]pyran
SMILESClCc1ccc2coccc1-2
InChIInChI=1S/C9H7ClO/c10-5-7-1-2-8-6-11-4-3-9(7)8/h1-4,6H,5H2
InChIKeyAKVKZUCADKJZDB-UHFFFAOYSA-N
XLogP3.12
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Viburtinal
CID 594452
Norviburtinal
CID 390664
7-(Chloromethyl)-1-benzofuran
CID 22413365
3-(Chloromethyl)-1-benzofuran
CID 12420811
2-Benzyl-4-(chloromethyl)furan
CID 12790892
Cyclopenta[b]pyran
CID 12313811
Cyclopenta[c]pyran
CID 14144377
2-Cyclopenta[c]pyran-5-ylacetic acid
CID 69076619
6-Formylcyclo-penta[c]pyran
CID 129847847
3-(Chloromethyl)-5-fluorobenzofuran
CID 18184314
6-[Chloro(cyclohexyl)methyl]-3-fluoro-7-methylcyclopenta[b]pyran
CID 68628367
6-Fluorocyclopenta[c]pyran
CID 90934318

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)cyclopenta[c]pyran?
The IUPAC name of 5-(chloromethyl)cyclopenta[c]pyran (CID 174818843) is 5-(chloromethyl)cyclopenta[c]pyran.
What is the SMILES notation for 5-(chloromethyl)cyclopenta[c]pyran?
The canonical SMILES for 5-(chloromethyl)cyclopenta[c]pyran is ClCc1ccc2coccc1-2.
What is the InChIKey of 5-(chloromethyl)cyclopenta[c]pyran?
The InChIKey is AKVKZUCADKJZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO/c10-5-7-1-2-8-6-11-4-3-9(7)8/h1-4,6H,5H2.
What are the key properties of 5-(chloromethyl)cyclopenta[c]pyran?
5-(chloromethyl)cyclopenta[c]pyran has a molecular weight of 166.61 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)cyclopenta[c]pyran is sourced from PubChem (CID 174818843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).