1-ethenyl-4-methylbenzene

C9H10 — CID 12161

IUPAC1-ethenyl-4-methylbenzene
SMILESC=Cc1ccc(C)cc1
InChIInChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InChIKeyJLBJTVDPSNHSKJ-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.64
Rot. Bonds1

About 1-ethenyl-4-methylbenzene

1-ethenyl-4-methylbenzene (PubChem CID 12161) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is 1-ethenyl-4-methylbenzene.

Molecular Properties

Compound Name1-ethenyl-4-methylbenzene
PubChem CID12161
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name1-ethenyl-4-methylbenzene
SMILESC=Cc1ccc(C)cc1
InChIInChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InChIKeyJLBJTVDPSNHSKJ-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

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
Indene
CID 7219
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-methylbenzene?
The IUPAC name of 1-ethenyl-4-methylbenzene (CID 12161) is 1-ethenyl-4-methylbenzene.
What is the SMILES notation for 1-ethenyl-4-methylbenzene?
The canonical SMILES for 1-ethenyl-4-methylbenzene is C=Cc1ccc(C)cc1.
What is the InChIKey of 1-ethenyl-4-methylbenzene?
The InChIKey is JLBJTVDPSNHSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3.
What are the key properties of 1-ethenyl-4-methylbenzene?
1-ethenyl-4-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-4-methylbenzene is sourced from PubChem (CID 12161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).