2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene

C16H23ClO — CID 77051207

IUPAC2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene
SMILESCCc1ccc(OCC=CCCl)c(C(C)(C)C)c1
InChIInChI=1S/C16H23ClO/c1-5-13-8-9-15(18-11-7-6-10-17)14(12-13)16(2,3)4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyQWJMPHMNHVMUTO-UHFFFAOYSA-N
MW266.81 g/mol
LogP4.72
Rot. Bonds5

About 2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene

2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene (PubChem CID 77051207) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene.

Molecular Properties

Compound Name2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene
PubChem CID77051207
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene
SMILESCCc1ccc(OCC=CCCl)c(C(C)(C)C)c1
InChIInChI=1S/C16H23ClO/c1-5-13-8-9-15(18-11-7-6-10-17)14(12-13)16(2,3)4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyQWJMPHMNHVMUTO-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-tert-butyl-4-ethylphenoxy)methyl-trifluoroboranuide
CID 63701534
N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine
CID 63476113
methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate
CID 28905814
2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde
CID 20988456
4-(2-tert-butyl-4-ethylphenoxy)-3-methylbut-2-enoic acid
CID 77005489
5-(2-tert-butyl-4-ethylphenoxy)pentanenitrile
CID 60673937
2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20984719
3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804713
2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366667
2-tert-butyl-4-(3-chloropropyl)-1-propoxybenzene
CID 83934424
4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole
CID 43407979
1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene
CID 77051712

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene?
The IUPAC name of 2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene (CID 77051207) is 2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene.
What is the SMILES notation for 2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene?
The canonical SMILES for 2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene is CCc1ccc(OCC=CCCl)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene?
The InChIKey is QWJMPHMNHVMUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO/c1-5-13-8-9-15(18-11-7-6-10-17)14(12-13)16(2,3)4/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of 2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene?
2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene has a molecular weight of 266.81 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene is sourced from PubChem (CID 77051207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).