1-chloro-2-methylbenzene;ethene

C9H11Cl — CID 142088810

IUPAC1-chloro-2-methylbenzene;ethene
SMILESC=C.Cc1ccccc1Cl
InChIInChI=1S/C7H7Cl.C2H4/c1-6-4-2-3-5-7(6)8;1-2/h2-5H,1H3;1-2H2
InChIKeySLTOQYZVUXERCN-UHFFFAOYSA-N
MW154.64 g/mol
LogP3.45
Rot. Bonds

About 1-chloro-2-methylbenzene;ethene

1-chloro-2-methylbenzene;ethene (PubChem CID 142088810) has the molecular formula C9H11Cl and a molecular weight of 154.64 g/mol. Its IUPAC name is 1-chloro-2-methylbenzene;ethene.

Molecular Properties

Compound Name1-chloro-2-methylbenzene;ethene
PubChem CID142088810
Molecular FormulaC9H11Cl
Molecular Weight154.64 g/mol
Exact Mass154.05
IUPAC Name1-chloro-2-methylbenzene;ethene
SMILESC=C.Cc1ccccc1Cl
InChIInChI=1S/C7H7Cl.C2H4/c1-6-4-2-3-5-7(6)8;1-2/h2-5H,1H3;1-2H2
InChIKeySLTOQYZVUXERCN-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.64
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-methylbenzene;dihydrochloride
CID 174485339
CID 66838097
CID 66838097
CID 10879451
CID 10879451
1-chloro-2-methylbenzene;2-methylpropane
CID 155693193
1-chloro-2-methylbenzene isocyanate
CID 86757710
sodium;bis(1-chloro-2-methylbenzene);hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173452663
1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene
CID 166790221
1-chloro-2-methylbenzene;ethane;methylcyclopentane
CID 164862819
1,2-dichlorobenzene;2-methylphenol
CID 159780398
2-chloro-1-methoxy-3-methylbenzene;1-chloro-2-methylbenzene;ethane
CID 166081294
1,2-xylene
CID 173422016
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylbenzene;ethene?
The IUPAC name of 1-chloro-2-methylbenzene;ethene (CID 142088810) is 1-chloro-2-methylbenzene;ethene.
What is the SMILES notation for 1-chloro-2-methylbenzene;ethene?
The canonical SMILES for 1-chloro-2-methylbenzene;ethene is C=C.Cc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-methylbenzene;ethene?
The InChIKey is SLTOQYZVUXERCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.C2H4/c1-6-4-2-3-5-7(6)8;1-2/h2-5H,1H3;1-2H2.
What are the key properties of 1-chloro-2-methylbenzene;ethene?
1-chloro-2-methylbenzene;ethene has a molecular weight of 154.64 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylbenzene;ethene is sourced from PubChem (CID 142088810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).