1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene

C17H17Cl — CID 158114303

IUPAC1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene
SMILESC=Cc1ccc(Cl)cc1.C=Cc1cccc(C)c1
InChIInChI=1S/C9H10.C8H7Cl/c1-3-9-6-4-5-8(2)7-9;1-2-7-3-5-8(9)6-4-7/h3-7H,1H2,2H3;2-6H,1H2
InChIKeyFQURNQBOXWAAIY-UHFFFAOYSA-N
MW256.78 g/mol
LogP5.62
Rot. Bonds2

About 1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene

1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene (PubChem CID 158114303) has the molecular formula C17H17Cl and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene.

Molecular Properties

Compound Name1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene
PubChem CID158114303
Molecular FormulaC17H17Cl
Molecular Weight256.78 g/mol
Exact Mass256.10
IUPAC Name1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene
SMILESC=Cc1ccc(Cl)cc1.C=Cc1cccc(C)c1
InChIInChI=1S/C9H10.C8H7Cl/c1-3-9-6-4-5-8(2)7-9;1-2-7-3-5-8(9)6-4-7/h3-7H,1H2,2H3;2-6H,1H2
InChIKeyFQURNQBOXWAAIY-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.78
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethenyl-3-methylbenzene
CID 7529
1-chloro-4-methylbenzene;styrene
CID 158372531
1-ethenyl-3-methylbenzene;sulfur dioxide
CID 157220077
1-ethenyl-3-methylbenzene;prop-1-enylbenzene
CID 162018200
magnesium;1-chloro-4-ethenylbenzene;hydride
CID 173109944
N,4-dimethylaniline;1-ethenyl-3-methylbenzene
CID 142013646
styrene;1,2-xylene;1,3-xylene;1,4-xylene
CID 160527972
3-methylaniline;styrene
CID 174647241
1-chloro-4-ethenylbenzene;ethanol
CID 175389019
1-ethenyl-4-[2-(3-methylphenyl)ethynyl]benzene
CID 143254024
1-ethenyl-4-methylbenzene;styrene
CID 159659441
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene?
The IUPAC name of 1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene (CID 158114303) is 1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene.
What is the SMILES notation for 1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene?
The canonical SMILES for 1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene is C=Cc1ccc(Cl)cc1.C=Cc1cccc(C)c1.
What is the InChIKey of 1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene?
The InChIKey is FQURNQBOXWAAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C8H7Cl/c1-3-9-6-4-5-8(2)7-9;1-2-7-3-5-8(9)6-4-7/h3-7H,1H2,2H3;2-6H,1H2.
What are the key properties of 1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene?
1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene has a molecular weight of 256.78 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene is sourced from PubChem (CID 158114303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).