1-ethenyl-3-methylbenzene

C9H10 — CID 7529

IUPAC1-ethenyl-3-methylbenzene
SMILESC=Cc1cccc(C)c1
InChIInChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InChIKeyJZHGRUMIRATHIU-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.64
Rot. Bonds1

About 1-ethenyl-3-methylbenzene

1-ethenyl-3-methylbenzene (PubChem CID 7529) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is 1-ethenyl-3-methylbenzene.

Molecular Properties

Compound Name1-ethenyl-3-methylbenzene
PubChem CID7529
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name1-ethenyl-3-methylbenzene
SMILESC=Cc1cccc(C)c1
InChIInChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InChIKeyJZHGRUMIRATHIU-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethenyl-3-methylbenzene;sulfur dioxide
CID 157220077
1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene
CID 158114303
1-ethenyl-3-methylbenzene;prop-1-enylbenzene
CID 162018200
N,4-dimethylaniline;1-ethenyl-3-methylbenzene
CID 142013646
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene
CID 129406214
3-methylaniline;styrene
CID 174647241
styrene;1,2-xylene;1,3-xylene;1,4-xylene
CID 160527972
1,3-bis(ethenyl)benzene;platinum;hexahydrochloride
CID 175502891
1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene
CID 58982919
1-ethenyl-4-[2-(3-methylphenyl)ethynyl]benzene
CID 143254024
3-ethenylphenol;methanol;4-methylphenol
CID 144866816

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methylbenzene?
The IUPAC name of 1-ethenyl-3-methylbenzene (CID 7529) is 1-ethenyl-3-methylbenzene.
What is the SMILES notation for 1-ethenyl-3-methylbenzene?
The canonical SMILES for 1-ethenyl-3-methylbenzene is C=Cc1cccc(C)c1.
What is the InChIKey of 1-ethenyl-3-methylbenzene?
The InChIKey is JZHGRUMIRATHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3.
What are the key properties of 1-ethenyl-3-methylbenzene?
1-ethenyl-3-methylbenzene has a molecular weight of 118.18 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methylbenzene is sourced from PubChem (CID 7529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).