2,4-dichloro-1-ethenylbenzene;styrene

C16H14Cl2 — CID 67764431

IUPAC2,4-dichloro-1-ethenylbenzene;styrene
SMILESC=Cc1ccc(Cl)cc1Cl.C=Cc1ccccc1
InChIInChI=1S/C8H6Cl2.C8H8/c1-2-6-3-4-7(9)5-8(6)10;1-2-8-6-4-3-5-7-8/h2-5H,1H2;2-7H,1H2
InChIKeyZAESNNURWMFWOL-UHFFFAOYSA-N
MW277.19 g/mol
LogP5.97
Rot. Bonds2

About 2,4-dichloro-1-ethenylbenzene;styrene

2,4-dichloro-1-ethenylbenzene;styrene (PubChem CID 67764431) has the molecular formula C16H14Cl2 and a molecular weight of 277.19 g/mol. Its IUPAC name is 2,4-dichloro-1-ethenylbenzene;styrene.

Molecular Properties

Compound Name2,4-dichloro-1-ethenylbenzene;styrene
PubChem CID67764431
Molecular FormulaC16H14Cl2
Molecular Weight277.19 g/mol
Exact Mass276.05
IUPAC Name2,4-dichloro-1-ethenylbenzene;styrene
SMILESC=Cc1ccc(Cl)cc1Cl.C=Cc1ccccc1
InChIInChI=1S/C8H6Cl2.C8H8/c1-2-6-3-4-7(9)5-8(6)10;1-2-8-6-4-3-5-7-8/h2-5H,1H2;2-7H,1H2
InChIKeyZAESNNURWMFWOL-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.19
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-ethenylbenzene;styrene?
The IUPAC name of 2,4-dichloro-1-ethenylbenzene;styrene (CID 67764431) is 2,4-dichloro-1-ethenylbenzene;styrene.
What is the SMILES notation for 2,4-dichloro-1-ethenylbenzene;styrene?
The canonical SMILES for 2,4-dichloro-1-ethenylbenzene;styrene is C=Cc1ccc(Cl)cc1Cl.C=Cc1ccccc1.
What is the InChIKey of 2,4-dichloro-1-ethenylbenzene;styrene?
The InChIKey is ZAESNNURWMFWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2.C8H8/c1-2-6-3-4-7(9)5-8(6)10;1-2-8-6-4-3-5-7-8/h2-5H,1H2;2-7H,1H2.
What are the key properties of 2,4-dichloro-1-ethenylbenzene;styrene?
2,4-dichloro-1-ethenylbenzene;styrene has a molecular weight of 277.19 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-ethenylbenzene;styrene is sourced from PubChem (CID 67764431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).