2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene

C15H21ClO — CID 63447510

IUPAC2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene
SMILESCCOc1ccc(C)cc1C(Cl)C1CCCC1
InChIInChI=1S/C15H21ClO/c1-3-17-14-9-8-11(2)10-13(14)15(16)12-6-4-5-7-12/h8-10,12,15H,3-7H2,1-2H3
InChIKeyVCOFELPRLXQSNA-UHFFFAOYSA-N
MW252.78 g/mol
LogP4.86
Rot. Bonds4

About 2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene

2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene (PubChem CID 63447510) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene.

Molecular Properties

Compound Name2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene
PubChem CID63447510
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene
SMILESCCOc1ccc(C)cc1C(Cl)C1CCCC1
InChIInChI=1S/C15H21ClO/c1-3-17-14-9-8-11(2)10-13(14)15(16)12-6-4-5-7-12/h8-10,12,15H,3-7H2,1-2H3
InChIKeyVCOFELPRLXQSNA-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene 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-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine
CID 83974493
cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine
CID 65018902
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672
2-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-ethylethanamine
CID 63505858
4-[(5-bromo-2-ethoxyphenyl)-chloromethyl]oxane
CID 62907272
2-cyclopropyl-1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
CID 83154688
3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 63506516
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299
2-[bromo-(2-ethoxy-5-methylphenyl)methyl]oxane
CID 55057373
2-[2-chloro-2-(2-ethoxy-5-methylphenyl)ethyl]bicyclo[2.2.1]heptane
CID 63444504
4-bromo-2-[chloro-(2,2-dimethylcyclohexyl)methyl]-1-ethoxybenzene
CID 107182084
N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 65018169

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene?
The IUPAC name of 2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene (CID 63447510) is 2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene.
What is the SMILES notation for 2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene?
The canonical SMILES for 2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene is CCOc1ccc(C)cc1C(Cl)C1CCCC1.
What is the InChIKey of 2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene?
The InChIKey is VCOFELPRLXQSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c1-3-17-14-9-8-11(2)10-13(14)15(16)12-6-4-5-7-12/h8-10,12,15H,3-7H2,1-2H3.
What are the key properties of 2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene?
2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene has a molecular weight of 252.78 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene is sourced from PubChem (CID 63447510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).