2-(3-ethenylphenyl)-1,3-dimethylbenzene

C16H16 — CID 123205650

IUPAC2-(3-ethenylphenyl)-1,3-dimethylbenzene
SMILESC=Cc1cccc(-c2c(C)cccc2C)c1
InChIInChI=1S/C16H16/c1-4-14-9-6-10-15(11-14)16-12(2)7-5-8-13(16)3/h4-11H,1H2,2-3H3
InChIKeyOGHGEOBJPYVWPV-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.61
Rot. Bonds2

About 2-(3-ethenylphenyl)-1,3-dimethylbenzene

2-(3-ethenylphenyl)-1,3-dimethylbenzene (PubChem CID 123205650) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(3-ethenylphenyl)-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-(3-ethenylphenyl)-1,3-dimethylbenzene
PubChem CID123205650
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name2-(3-ethenylphenyl)-1,3-dimethylbenzene
SMILESC=Cc1cccc(-c2c(C)cccc2C)c1
InChIInChI=1S/C16H16/c1-4-14-9-6-10-15(11-14)16-12(2)7-5-8-13(16)3/h4-11H,1H2,2-3H3
InChIKeyOGHGEOBJPYVWPV-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(3-ethenylphenyl)-1,3-dimethylbenzene 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-(3-ethenylphenyl)-1,3-dimethylbenzene?
The IUPAC name of 2-(3-ethenylphenyl)-1,3-dimethylbenzene (CID 123205650) is 2-(3-ethenylphenyl)-1,3-dimethylbenzene.
What is the SMILES notation for 2-(3-ethenylphenyl)-1,3-dimethylbenzene?
The canonical SMILES for 2-(3-ethenylphenyl)-1,3-dimethylbenzene is C=Cc1cccc(-c2c(C)cccc2C)c1.
What is the InChIKey of 2-(3-ethenylphenyl)-1,3-dimethylbenzene?
The InChIKey is OGHGEOBJPYVWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-4-14-9-6-10-15(11-14)16-12(2)7-5-8-13(16)3/h4-11H,1H2,2-3H3.
What are the key properties of 2-(3-ethenylphenyl)-1,3-dimethylbenzene?
2-(3-ethenylphenyl)-1,3-dimethylbenzene has a molecular weight of 208.30 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenylphenyl)-1,3-dimethylbenzene is sourced from PubChem (CID 123205650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).