2-[2-(4-ethenylphenyl)ethyl]-1,3,5-trimethylbenzene

C19H22 — CID 21344469

IUPAC2-[2-(4-ethenylphenyl)ethyl]-1,3,5-trimethylbenzene
SMILESC=Cc1ccc(CCc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H22/c1-5-17-6-8-18(9-7-17)10-11-19-15(3)12-14(2)13-16(19)4/h5-9,12-13H,1,10-11H2,2-4H3
InChIKeyBRVLTRSWFIPEHS-UHFFFAOYSA-N
MW250.38 g/mol
LogP5.04
Rot. Bonds4

About 2-[2-(4-ethenylphenyl)ethyl]-1,3,5-trimethylbenzene

2-[2-(4-ethenylphenyl)ethyl]-1,3,5-trimethylbenzene (PubChem CID 21344469) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-[2-(4-ethenylphenyl)ethyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[2-(4-ethenylphenyl)ethyl]-1,3,5-trimethylbenzene
PubChem CID21344469
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name2-[2-(4-ethenylphenyl)ethyl]-1,3,5-trimethylbenzene
SMILESC=Cc1ccc(CCc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H22/c1-5-17-6-8-18(9-7-17)10-11-19-15(3)12-14(2)13-16(19)4/h5-9,12-13H,1,10-11H2,2-4H3
InChIKeyBRVLTRSWFIPEHS-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethenylphenyl)ethyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[2-(4-ethenylphenyl)ethyl]-1,3,5-trimethylbenzene (CID 21344469) is 2-[2-(4-ethenylphenyl)ethyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[2-(4-ethenylphenyl)ethyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[2-(4-ethenylphenyl)ethyl]-1,3,5-trimethylbenzene is C=Cc1ccc(CCc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-[2-(4-ethenylphenyl)ethyl]-1,3,5-trimethylbenzene?
The InChIKey is BRVLTRSWFIPEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-5-17-6-8-18(9-7-17)10-11-19-15(3)12-14(2)13-16(19)4/h5-9,12-13H,1,10-11H2,2-4H3.
What are the key properties of 2-[2-(4-ethenylphenyl)ethyl]-1,3,5-trimethylbenzene?
2-[2-(4-ethenylphenyl)ethyl]-1,3,5-trimethylbenzene has a molecular weight of 250.38 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethenylphenyl)ethyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 21344469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).