1-(2-chloropropan-2-yl)-4-ethenylbenzene

C11H13Cl — CID 19761581

IUPAC1-(2-chloropropan-2-yl)-4-ethenylbenzene
SMILESC=Cc1ccc(C(C)(C)Cl)cc1
InChIInChI=1S/C11H13Cl/c1-4-9-5-7-10(8-6-9)11(2,3)12/h4-8H,1H2,2-3H3
InChIKeyAPVYKBWWYVXPJH-UHFFFAOYSA-N
MW180.68 g/mol
LogP3.80
Rot. Bonds2

About 1-(2-chloropropan-2-yl)-4-ethenylbenzene

1-(2-chloropropan-2-yl)-4-ethenylbenzene (PubChem CID 19761581) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 1-(2-chloropropan-2-yl)-4-ethenylbenzene.

Molecular Properties

Compound Name1-(2-chloropropan-2-yl)-4-ethenylbenzene
PubChem CID19761581
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name1-(2-chloropropan-2-yl)-4-ethenylbenzene
SMILESC=Cc1ccc(C(C)(C)Cl)cc1
InChIInChI=1S/C11H13Cl/c1-4-9-5-7-10(8-6-9)11(2,3)12/h4-8H,1H2,2-3H3
InChIKeyAPVYKBWWYVXPJH-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-ethenylbenzene
CID 15627
2-(4-ethenylphenyl)propan-2-amine;hydrochloride
CID 173390988
1-(1,1-difluoroethyl)-4-ethenylbenzene
CID 59554717
1-(1,1-dimethoxyethyl)-4-ethenylbenzene
CID 174389278
1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene
CID 144582721
chloromethane;styrene
CID 122701035
1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene
CID 174491340
1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene
CID 18928984
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 577531
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 158836973
4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline
CID 137446475
tert-butyl-[(4-ethenylphenyl)methyl]-dimethylsilane
CID 14790946

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropropan-2-yl)-4-ethenylbenzene?
The IUPAC name of 1-(2-chloropropan-2-yl)-4-ethenylbenzene (CID 19761581) is 1-(2-chloropropan-2-yl)-4-ethenylbenzene.
What is the SMILES notation for 1-(2-chloropropan-2-yl)-4-ethenylbenzene?
The canonical SMILES for 1-(2-chloropropan-2-yl)-4-ethenylbenzene is C=Cc1ccc(C(C)(C)Cl)cc1.
What is the InChIKey of 1-(2-chloropropan-2-yl)-4-ethenylbenzene?
The InChIKey is APVYKBWWYVXPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c1-4-9-5-7-10(8-6-9)11(2,3)12/h4-8H,1H2,2-3H3.
What are the key properties of 1-(2-chloropropan-2-yl)-4-ethenylbenzene?
1-(2-chloropropan-2-yl)-4-ethenylbenzene has a molecular weight of 180.68 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropropan-2-yl)-4-ethenylbenzene is sourced from PubChem (CID 19761581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).