2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene

C14H17Cl — CID 156548633

IUPAC2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene
SMILESC=Cc1cc(C)c(C)c(C)c1/C=C(\C)Cl
InChIInChI=1S/C14H17Cl/c1-6-13-7-9(2)11(4)12(5)14(13)8-10(3)15/h6-8H,1H2,2-5H3/b10-8+
InChIKeyMGSZPLNUXXVDTF-CSKARUKUSA-N
MW220.74 g/mol
LogP4.85
Rot. Bonds2

About 2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene

2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene (PubChem CID 156548633) has the molecular formula C14H17Cl and a molecular weight of 220.74 g/mol. Its IUPAC name is 2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene.

Molecular Properties

Compound Name2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene
PubChem CID156548633
Molecular FormulaC14H17Cl
Molecular Weight220.74 g/mol
Exact Mass220.10
IUPAC Name2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene
SMILESC=Cc1cc(C)c(C)c(C)c1/C=C(\C)Cl
InChIInChI=1S/C14H17Cl/c1-6-13-7-9(2)11(4)12(5)14(13)8-10(3)15/h6-8H,1H2,2-5H3/b10-8+
InChIKeyMGSZPLNUXXVDTF-CSKARUKUSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene?
The IUPAC name of 2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene (CID 156548633) is 2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene.
What is the SMILES notation for 2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene?
The canonical SMILES for 2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene is C=Cc1cc(C)c(C)c(C)c1/C=C(\C)Cl.
What is the InChIKey of 2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene?
The InChIKey is MGSZPLNUXXVDTF-CSKARUKUSA-N. The full InChI is InChI=1S/C14H17Cl/c1-6-13-7-9(2)11(4)12(5)14(13)8-10(3)15/h6-8H,1H2,2-5H3/b10-8+.
What are the key properties of 2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene?
2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene has a molecular weight of 220.74 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene is sourced from PubChem (CID 156548633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).