2-chloro-1-ethenyl-3-propan-2-ylbenzene

C11H13Cl — CID 118269122

IUPAC2-chloro-1-ethenyl-3-propan-2-ylbenzene
SMILESC=Cc1cccc(C(C)C)c1Cl
InChIInChI=1S/C11H13Cl/c1-4-9-6-5-7-10(8(2)3)11(9)12/h4-8H,1H2,2-3H3
InChIKeyVLBHTSTUOOAVMK-UHFFFAOYSA-N
MW180.68 g/mol
LogP4.11
Rot. Bonds2

About 2-chloro-1-ethenyl-3-propan-2-ylbenzene

2-chloro-1-ethenyl-3-propan-2-ylbenzene (PubChem CID 118269122) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 2-chloro-1-ethenyl-3-propan-2-ylbenzene.

Molecular Properties

Compound Name2-chloro-1-ethenyl-3-propan-2-ylbenzene
PubChem CID118269122
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name2-chloro-1-ethenyl-3-propan-2-ylbenzene
SMILESC=Cc1cccc(C(C)C)c1Cl
InChIInChI=1S/C11H13Cl/c1-4-9-6-5-7-10(8(2)3)11(9)12/h4-8H,1H2,2-3H3
InChIKeyVLBHTSTUOOAVMK-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethenyl-3-propan-2-ylbenzene?
The IUPAC name of 2-chloro-1-ethenyl-3-propan-2-ylbenzene (CID 118269122) is 2-chloro-1-ethenyl-3-propan-2-ylbenzene.
What is the SMILES notation for 2-chloro-1-ethenyl-3-propan-2-ylbenzene?
The canonical SMILES for 2-chloro-1-ethenyl-3-propan-2-ylbenzene is C=Cc1cccc(C(C)C)c1Cl.
What is the InChIKey of 2-chloro-1-ethenyl-3-propan-2-ylbenzene?
The InChIKey is VLBHTSTUOOAVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c1-4-9-6-5-7-10(8(2)3)11(9)12/h4-8H,1H2,2-3H3.
What are the key properties of 2-chloro-1-ethenyl-3-propan-2-ylbenzene?
2-chloro-1-ethenyl-3-propan-2-ylbenzene has a molecular weight of 180.68 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethenyl-3-propan-2-ylbenzene is sourced from PubChem (CID 118269122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).