1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene

C18H19Cl — CID 21201014

IUPAC1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene
SMILESC=Cc1ccc(C)cc1.C=Cc1ccc(CCl)cc1
InChIInChI=1S/C9H9Cl.C9H10/c1-2-8-3-5-9(7-10)6-4-8;1-3-9-6-4-8(2)5-7-9/h2-6H,1,7H2;3-7H,1H2,2H3
InChIKeyKASHHZWNRUQSCW-UHFFFAOYSA-N
MW270.80 g/mol
LogP5.71
Rot. Bonds3

About 1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene

1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene (PubChem CID 21201014) has the molecular formula C18H19Cl and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene
PubChem CID21201014
Molecular FormulaC18H19Cl
Molecular Weight270.80 g/mol
Exact Mass270.12
IUPAC Name1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene
SMILESC=Cc1ccc(C)cc1.C=Cc1ccc(CCl)cc1
InChIInChI=1S/C9H9Cl.C9H10/c1-2-8-3-5-9(7-10)6-4-8;1-3-9-6-4-8(2)5-7-9/h2-6H,1,7H2;3-7H,1H2,2H3
InChIKeyKASHHZWNRUQSCW-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.80
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-4-ethenylbenzene;phosphane
CID 87786462
CID 174976037
CID 174976037
1-ethenyl-4-methylbenzene;methane
CID 142136023
N-[(4-ethenylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 143022866
1-ethenyl-4-methylbenzene;methanamine
CID 23466173
bis(1-ethenyl-4-methylbenzene);formaldehyde
CID 144930982
1-(4-ethenylphenyl)-4-(4-methylphenyl)benzene
CID 123748481
1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene
CID 22408145
(4-ethenylphenyl)methyl-bis(4-methylphenyl)phosphane
CID 129019535
1-ethenyl-4-methylbenzene;styrene
CID 159659441
1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene
CID 158777597
1-ethenyl-4-(4-methylphenyl)benzene;hexane
CID 142178486

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene?
The IUPAC name of 1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene (CID 21201014) is 1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene.
What is the SMILES notation for 1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene?
The canonical SMILES for 1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene is C=Cc1ccc(C)cc1.C=Cc1ccc(CCl)cc1.
What is the InChIKey of 1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene?
The InChIKey is KASHHZWNRUQSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl.C9H10/c1-2-8-3-5-9(7-10)6-4-8;1-3-9-6-4-8(2)5-7-9/h2-6H,1,7H2;3-7H,1H2,2H3.
What are the key properties of 1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene?
1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene has a molecular weight of 270.80 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene is sourced from PubChem (CID 21201014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).