1-benzyl-2-ethenyl-3-methylbenzene

C16H16 — CID 140517304

IUPAC1-benzyl-2-ethenyl-3-methylbenzene
SMILESC=Cc1c(C)cccc1Cc1ccccc1
InChIInChI=1S/C16H16/c1-3-16-13(2)8-7-11-15(16)12-14-9-5-4-6-10-14/h3-11H,1,12H2,2H3
InChIKeyPMUUKMOHHWHPTH-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.23
Rot. Bonds3

About 1-benzyl-2-ethenyl-3-methylbenzene

1-benzyl-2-ethenyl-3-methylbenzene (PubChem CID 140517304) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-benzyl-2-ethenyl-3-methylbenzene.

Molecular Properties

Compound Name1-benzyl-2-ethenyl-3-methylbenzene
PubChem CID140517304
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name1-benzyl-2-ethenyl-3-methylbenzene
SMILESC=Cc1c(C)cccc1Cc1ccccc1
InChIInChI=1S/C16H16/c1-3-16-13(2)8-7-11-15(16)12-14-9-5-4-6-10-14/h3-11H,1,12H2,2H3
InChIKeyPMUUKMOHHWHPTH-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-2-ethenyl-3-methylbenzene
CID 154145018
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
azane;1-benzyl-2,3-dimethylbenzene;hydrochloride
CID 174867327
acetylene;2-ethenyl-1,3-dimethylbenzene
CID 142972019
4-benzyl-2-ethenyl-3-methylbenzoic acid
CID 70211057
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
1-benzyl-4-ethenyl-2-ethylbenzene
CID 22639192
ethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene
CID 144779350
1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene
CID 142480467
1-(2-benzylphenyl)-2,5-dimethylpyrrole
CID 15643956
1-benzyl-2,3-dipropylbenzene
CID 22920914
1-[[4-[(2,3-dimethylphenyl)methyl]phenyl]methyl]-2,3-dimethylbenzene
CID 123304206

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-ethenyl-3-methylbenzene?
The IUPAC name of 1-benzyl-2-ethenyl-3-methylbenzene (CID 140517304) is 1-benzyl-2-ethenyl-3-methylbenzene.
What is the SMILES notation for 1-benzyl-2-ethenyl-3-methylbenzene?
The canonical SMILES for 1-benzyl-2-ethenyl-3-methylbenzene is C=Cc1c(C)cccc1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-ethenyl-3-methylbenzene?
The InChIKey is PMUUKMOHHWHPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-3-16-13(2)8-7-11-15(16)12-14-9-5-4-6-10-14/h3-11H,1,12H2,2H3.
What are the key properties of 1-benzyl-2-ethenyl-3-methylbenzene?
1-benzyl-2-ethenyl-3-methylbenzene has a molecular weight of 208.30 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-ethenyl-3-methylbenzene is sourced from PubChem (CID 140517304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).