1-benzyl-4-ethenyl-2-ethylbenzene

C17H18 — CID 22639192

IUPAC1-benzyl-4-ethenyl-2-ethylbenzene
SMILESC=Cc1ccc(Cc2ccccc2)c(CC)c1
InChIInChI=1S/C17H18/c1-3-14-10-11-17(16(4-2)12-14)13-15-8-6-5-7-9-15/h3,5-12H,1,4,13H2,2H3
InChIKeyKOLOXEIXRXUGPF-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.48
Rot. Bonds4

About 1-benzyl-4-ethenyl-2-ethylbenzene

1-benzyl-4-ethenyl-2-ethylbenzene (PubChem CID 22639192) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-benzyl-4-ethenyl-2-ethylbenzene.

Molecular Properties

Compound Name1-benzyl-4-ethenyl-2-ethylbenzene
PubChem CID22639192
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1-benzyl-4-ethenyl-2-ethylbenzene
SMILESC=Cc1ccc(Cc2ccccc2)c(CC)c1
InChIInChI=1S/C17H18/c1-3-14-10-11-17(16(4-2)12-14)13-15-8-6-5-7-9-15/h3,5-12H,1,4,13H2,2H3
InChIKeyKOLOXEIXRXUGPF-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

carbonic acid;4-ethenyl-1,2-diethylbenzene
CID 160975944
1-benzyl-2,4-diethylbenzene
CID 139691839
1-(chloromethyl)-4-ethenyl-2-ethylbenzene
CID 19883810
2-(chloromethyl)-4-ethenyl-1-ethylbenzene
CID 19883815
CID 174750501
CID 174750501
1,4-bis(ethenyl)-2-ethylbenzene
CID 57040233
1-chloro-4-ethenyl-2-ethylbenzene
CID 118268991
ethylbenzene;methane;styrene;hydrate
CID 169425917
1-benzyl-2-ethenyl-3-methylbenzene
CID 140517304
4-benzyl-2-ethenyl-3-methylbenzoic acid
CID 70211057
3-benzyl-4-prop-2-enoxybenzaldehyde
CID 130337135
2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione
CID 172539643

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-ethenyl-2-ethylbenzene?
The IUPAC name of 1-benzyl-4-ethenyl-2-ethylbenzene (CID 22639192) is 1-benzyl-4-ethenyl-2-ethylbenzene.
What is the SMILES notation for 1-benzyl-4-ethenyl-2-ethylbenzene?
The canonical SMILES for 1-benzyl-4-ethenyl-2-ethylbenzene is C=Cc1ccc(Cc2ccccc2)c(CC)c1.
What is the InChIKey of 1-benzyl-4-ethenyl-2-ethylbenzene?
The InChIKey is KOLOXEIXRXUGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18/c1-3-14-10-11-17(16(4-2)12-14)13-15-8-6-5-7-9-15/h3,5-12H,1,4,13H2,2H3.
What are the key properties of 1-benzyl-4-ethenyl-2-ethylbenzene?
1-benzyl-4-ethenyl-2-ethylbenzene has a molecular weight of 222.33 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-ethenyl-2-ethylbenzene is sourced from PubChem (CID 22639192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).