1-chloro-4-(cyclopenten-1-ylmethoxy)benzene

C12H13ClO — CID 131001139

IUPAC1-chloro-4-(cyclopenten-1-ylmethoxy)benzene
SMILESClc1ccc(OCC2=CCCC2)cc1
InChIInChI=1S/C12H13ClO/c13-11-5-7-12(8-6-11)14-9-10-3-1-2-4-10/h3,5-8H,1-2,4,9H2
InChIKeyJNEPVTFJJYDTHI-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.83
Rot. Bonds3

About 1-chloro-4-(cyclopenten-1-ylmethoxy)benzene

1-chloro-4-(cyclopenten-1-ylmethoxy)benzene (PubChem CID 131001139) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 1-chloro-4-(cyclopenten-1-ylmethoxy)benzene.

Molecular Properties

Compound Name1-chloro-4-(cyclopenten-1-ylmethoxy)benzene
PubChem CID131001139
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name1-chloro-4-(cyclopenten-1-ylmethoxy)benzene
SMILESClc1ccc(OCC2=CCCC2)cc1
InChIInChI=1S/C12H13ClO/c13-11-5-7-12(8-6-11)14-9-10-3-1-2-4-10/h3,5-8H,1-2,4,9H2
InChIKeyJNEPVTFJJYDTHI-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(cyclopenten-1-ylmethoxy)benzene?
The IUPAC name of 1-chloro-4-(cyclopenten-1-ylmethoxy)benzene (CID 131001139) is 1-chloro-4-(cyclopenten-1-ylmethoxy)benzene.
What is the SMILES notation for 1-chloro-4-(cyclopenten-1-ylmethoxy)benzene?
The canonical SMILES for 1-chloro-4-(cyclopenten-1-ylmethoxy)benzene is Clc1ccc(OCC2=CCCC2)cc1.
What is the InChIKey of 1-chloro-4-(cyclopenten-1-ylmethoxy)benzene?
The InChIKey is JNEPVTFJJYDTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c13-11-5-7-12(8-6-11)14-9-10-3-1-2-4-10/h3,5-8H,1-2,4,9H2.
What are the key properties of 1-chloro-4-(cyclopenten-1-ylmethoxy)benzene?
1-chloro-4-(cyclopenten-1-ylmethoxy)benzene has a molecular weight of 208.69 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(cyclopenten-1-ylmethoxy)benzene is sourced from PubChem (CID 131001139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).