4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene

C15H23ClO2 — CID 63664014

IUPAC4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene
SMILESCc1cc(C(C)(C)C)ccc1OCCOCCCl
InChIInChI=1S/C15H23ClO2/c1-12-11-13(15(2,3)4)5-6-14(12)18-10-9-17-8-7-16/h5-6,11H,7-10H2,1-4H3
InChIKeyJMRIQBZZIUKWFO-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.93
Rot. Bonds6

About 4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene

4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene (PubChem CID 63664014) has the molecular formula C15H23ClO2 and a molecular weight of 270.80 g/mol. Its IUPAC name is 4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene.

Molecular Properties

Compound Name4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene
PubChem CID63664014
Molecular FormulaC15H23ClO2
Molecular Weight270.80 g/mol
Exact Mass270.14
IUPAC Name4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene
SMILESCc1cc(C(C)(C)C)ccc1OCCOCCCl
InChIInChI=1S/C15H23ClO2/c1-12-11-13(15(2,3)4)5-6-14(12)18-10-9-17-8-7-16/h5-6,11H,7-10H2,1-4H3
InChIKeyJMRIQBZZIUKWFO-UHFFFAOYSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-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

4-tert-butyl-1-(5-chloropentoxy)-2-methylbenzene
CID 43351908
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181239
1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene
CID 63665426
1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2298053
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2297274
4-tert-butyl-1,2-bis(3-chloropropoxy)benzene
CID 13295778
N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine
CID 3085515
4-tert-butyl-1-but-3-ynoxy-2-methylbenzene
CID 55248880
1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354127
N-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine;oxalic acid
CID 2922716
2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol
CID 64806676
N-[3-(4-tert-butyl-2-methylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2297128

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene?
The IUPAC name of 4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene (CID 63664014) is 4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene.
What is the SMILES notation for 4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene?
The canonical SMILES for 4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene is Cc1cc(C(C)(C)C)ccc1OCCOCCCl.
What is the InChIKey of 4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene?
The InChIKey is JMRIQBZZIUKWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO2/c1-12-11-13(15(2,3)4)5-6-14(12)18-10-9-17-8-7-16/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene?
4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene has a molecular weight of 270.80 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene is sourced from PubChem (CID 63664014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).