2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene

C14H21ClS — CID 63431273

IUPAC2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene
SMILESCCc1ccc(C(Cl)CC2CCCCC2)s1
InChIInChI=1S/C14H21ClS/c1-2-12-8-9-14(16-12)13(15)10-11-6-4-3-5-7-11/h8-9,11,13H,2-7,10H2,1H3
InChIKeyQCGQTJAUELYELD-UHFFFAOYSA-N
MW256.84 g/mol
LogP5.56
Rot. Bonds4

About 2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene

2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene (PubChem CID 63431273) has the molecular formula C14H21ClS and a molecular weight of 256.84 g/mol. Its IUPAC name is 2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene.

Molecular Properties

Compound Name2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene
PubChem CID63431273
Molecular FormulaC14H21ClS
Molecular Weight256.84 g/mol
Exact Mass256.11
IUPAC Name2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene
SMILESCCc1ccc(C(Cl)CC2CCCCC2)s1
InChIInChI=1S/C14H21ClS/c1-2-12-8-9-14(16-12)13(15)10-11-6-4-3-5-7-11/h8-9,11,13H,2-7,10H2,1H3
InChIKeyQCGQTJAUELYELD-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.84
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene 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

2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 114457478
2-cyclohexyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 43103045
2-[chloro(cyclobutyl)methyl]-5-ethylthiophene
CID 61082733
cycloheptyl-(5-ethylthiophen-2-yl)methanamine
CID 62587234
2-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-5-ethylthiophene
CID 63430948
(R)-cyclopentyl-(5-ethylthiophen-2-yl)methanamine;hydrochloride
CID 171211749
1-cyclopentyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 115842609
3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
CID 43494349
2-[(4-butylcyclohexyl)-chloromethyl]-5-ethylthiophene
CID 63430681
2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane
CID 61082899
1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine
CID 115842424
1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine
CID 171281355

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene?
The IUPAC name of 2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene (CID 63431273) is 2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene.
What is the SMILES notation for 2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene?
The canonical SMILES for 2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene is CCc1ccc(C(Cl)CC2CCCCC2)s1.
What is the InChIKey of 2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene?
The InChIKey is QCGQTJAUELYELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClS/c1-2-12-8-9-14(16-12)13(15)10-11-6-4-3-5-7-11/h8-9,11,13H,2-7,10H2,1H3.
What are the key properties of 2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene?
2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene has a molecular weight of 256.84 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene is sourced from PubChem (CID 63431273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).