1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene

C19H22 — CID 159036970

IUPAC1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.C=Cc1ccc(CC)cc1
InChIInChI=1S/C10H12.C9H10/c1-3-9-5-7-10(4-2)8-6-9;1-8(2)9-6-4-3-5-7-9/h3,5-8H,1,4H2,2H3;3-7H,1H2,2H3
InChIKeyJVOQNJAJPQANBA-UHFFFAOYSA-N
MW250.38 g/mol
LogP5.61
Rot. Bonds3

About 1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene

1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene (PubChem CID 159036970) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene
PubChem CID159036970
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.C=Cc1ccc(CC)cc1
InChIInChI=1S/C10H12.C9H10/c1-3-9-5-7-10(4-2)8-6-9;1-8(2)9-6-4-3-5-7-9/h3,5-8H,1,4H2,2H3;3-7H,1H2,2H3
InChIKeyJVOQNJAJPQANBA-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(prop-1-en-2-ylbenzene);styrene
CID 157311042
1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene
CID 173010088
sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene
CID 56843857
ethenamine;prop-1-en-2-ylbenzene
CID 172805831
1-ethenyl-4-ethylbenzene;3-methylidenehex-1-ene;prop-2-enoic acid;styrene
CID 173451508
ethylbenzene;methane;styrene;hydrate
CID 169425917
methane;propane;prop-1-en-2-ylbenzene
CID 145329923
1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene
CID 137319863
buta-1,3-diene;bis(prop-2-enenitrile);prop-1-en-2-ylbenzene;styrene
CID 173419899
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
prop-1-en-2-ylbenzene;silane
CID 174724970
bis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol
CID 161169173

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene?
The IUPAC name of 1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene (CID 159036970) is 1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene?
The canonical SMILES for 1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene is C=C(C)c1ccccc1.C=Cc1ccc(CC)cc1.
What is the InChIKey of 1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene?
The InChIKey is JVOQNJAJPQANBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C9H10/c1-3-9-5-7-10(4-2)8-6-9;1-8(2)9-6-4-3-5-7-9/h3,5-8H,1,4H2,2H3;3-7H,1H2,2H3.
What are the key properties of 1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene?
1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene has a molecular weight of 250.38 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene is sourced from PubChem (CID 159036970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).