1-tert-butyl-4-(2,2-dichloroethenyl)benzene

C12H14Cl2 — CID 23186111

IUPAC1-tert-butyl-4-(2,2-dichloroethenyl)benzene
SMILESCC(C)(C)c1ccc(C=C(Cl)Cl)cc1
InChIInChI=1S/C12H14Cl2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h4-8H,1-3H3
InChIKeyMEQUFIXNSYSTGH-UHFFFAOYSA-N
MW229.15 g/mol
LogP4.76
Rot. Bonds1

About 1-tert-butyl-4-(2,2-dichloroethenyl)benzene

1-tert-butyl-4-(2,2-dichloroethenyl)benzene (PubChem CID 23186111) has the molecular formula C12H14Cl2 and a molecular weight of 229.15 g/mol. Its IUPAC name is 1-tert-butyl-4-(2,2-dichloroethenyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(2,2-dichloroethenyl)benzene
PubChem CID23186111
Molecular FormulaC12H14Cl2
Molecular Weight229.15 g/mol
Exact Mass228.05
IUPAC Name1-tert-butyl-4-(2,2-dichloroethenyl)benzene
SMILESCC(C)(C)c1ccc(C=C(Cl)Cl)cc1
InChIInChI=1S/C12H14Cl2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h4-8H,1-3H3
InChIKeyMEQUFIXNSYSTGH-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-4-(2,2-dichloroethenyl)benzene 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

1-tert-butyl-4-(2,2-dibromoethenyl)benzene
CID 95993486
(Z)-4-(4-tert-butylphenyl)-3-methylbut-3-en-2-one
CID 22813555
(Z)-3-(4-tert-butylphenyl)-2-methylprop-2-enal
CID 22791862
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
1-(2,2-dichloroethenyl)-4-ethylbenzene
CID 150384278
1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene
CID 156672934
(2Z)-2-[(4-tert-butylphenyl)methylidene]-3,3-dimethylbutanenitrile
CID 177031340
4-[2-(4-tert-butylphenyl)-1-(4-hydroxyphenyl)ethenyl]phenol
CID 148506571
1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene
CID 71055530
1-tert-butyl-4-ethenylbenzene
CID 15627
3-[4-(4-tert-butylphenyl)phenyl]-2-methylprop-2-enoic acid
CID 69194959
(Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid
CID 43344010

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2,2-dichloroethenyl)benzene?
The IUPAC name of 1-tert-butyl-4-(2,2-dichloroethenyl)benzene (CID 23186111) is 1-tert-butyl-4-(2,2-dichloroethenyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(2,2-dichloroethenyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(2,2-dichloroethenyl)benzene is CC(C)(C)c1ccc(C=C(Cl)Cl)cc1.
What is the InChIKey of 1-tert-butyl-4-(2,2-dichloroethenyl)benzene?
The InChIKey is MEQUFIXNSYSTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h4-8H,1-3H3.
What are the key properties of 1-tert-butyl-4-(2,2-dichloroethenyl)benzene?
1-tert-butyl-4-(2,2-dichloroethenyl)benzene has a molecular weight of 229.15 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2,2-dichloroethenyl)benzene is sourced from PubChem (CID 23186111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).