1-ethenyl-2-methylbenzene

C9H10 — CID 11904

IUPAC1-ethenyl-2-methylbenzene
SMILESC=Cc1ccccc1C
InChIInChI=1S/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
InChIKeyNVZWEEGUWXZOKI-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.64
Rot. Bonds1

About 1-ethenyl-2-methylbenzene

1-ethenyl-2-methylbenzene (PubChem CID 11904) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is 1-ethenyl-2-methylbenzene.

Molecular Properties

Compound Name1-ethenyl-2-methylbenzene
PubChem CID11904
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name1-ethenyl-2-methylbenzene
SMILESC=Cc1ccccc1C
InChIInChI=1S/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
InChIKeyNVZWEEGUWXZOKI-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

Naphthalene
CID 931
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
1-Methylnaphthalene
CID 7002
Tetralin
CID 8404
P-Cymene
CID 7463

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methylbenzene?
The IUPAC name of 1-ethenyl-2-methylbenzene (CID 11904) is 1-ethenyl-2-methylbenzene.
What is the SMILES notation for 1-ethenyl-2-methylbenzene?
The canonical SMILES for 1-ethenyl-2-methylbenzene is C=Cc1ccccc1C.
What is the InChIKey of 1-ethenyl-2-methylbenzene?
The InChIKey is NVZWEEGUWXZOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3.
What are the key properties of 1-ethenyl-2-methylbenzene?
1-ethenyl-2-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-2-methylbenzene is sourced from PubChem (CID 11904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).