3-(2-chlorocyclopentyl)propoxybenzene

C14H19ClO — CID 63461824

IUPAC3-(2-chlorocyclopentyl)propoxybenzene
SMILESClC1CCCC1CCCOc1ccccc1
InChIInChI=1S/C14H19ClO/c15-14-10-4-6-12(14)7-5-11-16-13-8-2-1-3-9-13/h1-3,8-9,12,14H,4-7,10-11H2
InChIKeyDRBCBUJLTYWUEQ-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.25
Rot. Bonds5

About 3-(2-chlorocyclopentyl)propoxybenzene

3-(2-chlorocyclopentyl)propoxybenzene (PubChem CID 63461824) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-(2-chlorocyclopentyl)propoxybenzene.

Molecular Properties

Compound Name3-(2-chlorocyclopentyl)propoxybenzene
PubChem CID63461824
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name3-(2-chlorocyclopentyl)propoxybenzene
SMILESClC1CCCC1CCCOc1ccccc1
InChIInChI=1S/C14H19ClO/c15-14-10-4-6-12(14)7-5-11-16-13-8-2-1-3-9-13/h1-3,8-9,12,14H,4-7,10-11H2
InChIKeyDRBCBUJLTYWUEQ-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorocyclopentyl)propoxybenzene?
The IUPAC name of 3-(2-chlorocyclopentyl)propoxybenzene (CID 63461824) is 3-(2-chlorocyclopentyl)propoxybenzene.
What is the SMILES notation for 3-(2-chlorocyclopentyl)propoxybenzene?
The canonical SMILES for 3-(2-chlorocyclopentyl)propoxybenzene is ClC1CCCC1CCCOc1ccccc1.
What is the InChIKey of 3-(2-chlorocyclopentyl)propoxybenzene?
The InChIKey is DRBCBUJLTYWUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c15-14-10-4-6-12(14)7-5-11-16-13-8-2-1-3-9-13/h1-3,8-9,12,14H,4-7,10-11H2.
What are the key properties of 3-(2-chlorocyclopentyl)propoxybenzene?
3-(2-chlorocyclopentyl)propoxybenzene has a molecular weight of 238.76 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorocyclopentyl)propoxybenzene is sourced from PubChem (CID 63461824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).