2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene

C14H17ClO — CID 130537389

IUPAC2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene
SMILESClC1C=C(CCOCc2ccccc2)CC1
InChIInChI=1S/C14H17ClO/c15-14-7-6-12(10-14)8-9-16-11-13-4-2-1-3-5-13/h1-5,10,14H,6-9,11H2
InChIKeyWWBNADJITIDXOL-UHFFFAOYSA-N
MW236.74 g/mol
LogP3.92
Rot. Bonds5

About 2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene

2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene (PubChem CID 130537389) has the molecular formula C14H17ClO and a molecular weight of 236.74 g/mol. Its IUPAC name is 2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene.

Molecular Properties

Compound Name2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene
PubChem CID130537389
Molecular FormulaC14H17ClO
Molecular Weight236.74 g/mol
Exact Mass236.10
IUPAC Name2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene
SMILESClC1C=C(CCOCc2ccccc2)CC1
InChIInChI=1S/C14H17ClO/c15-14-7-6-12(10-14)8-9-16-11-13-4-2-1-3-5-13/h1-5,10,14H,6-9,11H2
InChIKeyWWBNADJITIDXOL-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 53.92
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chlorocyclopenten-1-yl)methylbenzene
CID 65176706
2-(3-chlorocyclohexen-1-yl)ethylbenzene
CID 65177340
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
4-chloro-3-(2-phenylmethoxyethyl)oxane
CID 130537120
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-phenylmethoxyethyl N-cyclopropylcarbamate
CID 141440519
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970
2-phenylmethoxyethyl cyclopropanecarboxylate
CID 21489661
3-(3-phenylmethoxypropoxy)oxetane
CID 90348128
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
dichloromethane;phenylmethoxymethylbenzene
CID 174530379

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene?
The IUPAC name of 2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene (CID 130537389) is 2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene.
What is the SMILES notation for 2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene?
The canonical SMILES for 2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene is ClC1C=C(CCOCc2ccccc2)CC1.
What is the InChIKey of 2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene?
The InChIKey is WWBNADJITIDXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO/c15-14-7-6-12(10-14)8-9-16-11-13-4-2-1-3-5-13/h1-5,10,14H,6-9,11H2.
What are the key properties of 2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene?
2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene has a molecular weight of 236.74 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene is sourced from PubChem (CID 130537389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).