2-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene

C13H15ClO2 — CID 116811164

IUPAC2-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1C1=CC(Cl)CC1
InChIInChI=1S/C13H15ClO2/c1-15-11-4-3-5-12(16-2)13(11)9-6-7-10(14)8-9/h3-5,8,10H,6-7H2,1-2H3
InChIKeyXBBSWWDSKGLRLS-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.49
Rot. Bonds3

About 2-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene

2-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene (PubChem CID 116811164) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 2-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene
PubChem CID116811164
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name2-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1C1=CC(Cl)CC1
InChIInChI=1S/C13H15ClO2/c1-15-11-4-3-5-12(16-2)13(11)9-6-7-10(14)8-9/h3-5,8,10H,6-7H2,1-2H3
InChIKeyXBBSWWDSKGLRLS-UHFFFAOYSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene?
The IUPAC name of 2-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene (CID 116811164) is 2-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene.
What is the SMILES notation for 2-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene?
The canonical SMILES for 2-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene is COc1cccc(OC)c1C1=CC(Cl)CC1.
What is the InChIKey of 2-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene?
The InChIKey is XBBSWWDSKGLRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-15-11-4-3-5-12(16-2)13(11)9-6-7-10(14)8-9/h3-5,8,10H,6-7H2,1-2H3.
What are the key properties of 2-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene?
2-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene has a molecular weight of 238.71 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene is sourced from PubChem (CID 116811164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).