1-chloro-2-ethenylbenzene

C8H7Cl — CID 14906

IUPAC1-chloro-2-ethenylbenzene
SMILESC=Cc1ccccc1Cl
InChIInChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InChIKeyISRGONDNXBCDBM-UHFFFAOYSA-N
MW138.60 g/mol
LogP2.98
Rot. Bonds1

About 1-chloro-2-ethenylbenzene

1-chloro-2-ethenylbenzene (PubChem CID 14906) has the molecular formula C8H7Cl and a molecular weight of 138.60 g/mol. Its IUPAC name is 1-chloro-2-ethenylbenzene.

Molecular Properties

Compound Name1-chloro-2-ethenylbenzene
PubChem CID14906
Molecular FormulaC8H7Cl
Molecular Weight138.60 g/mol
Exact Mass138.02
IUPAC Name1-chloro-2-ethenylbenzene
SMILESC=Cc1ccccc1Cl
InChIInChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InChIKeyISRGONDNXBCDBM-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.60
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethenylbenzene?
The IUPAC name of 1-chloro-2-ethenylbenzene (CID 14906) is 1-chloro-2-ethenylbenzene.
What is the SMILES notation for 1-chloro-2-ethenylbenzene?
The canonical SMILES for 1-chloro-2-ethenylbenzene is C=Cc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-ethenylbenzene?
The InChIKey is ISRGONDNXBCDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2.
What are the key properties of 1-chloro-2-ethenylbenzene?
1-chloro-2-ethenylbenzene has a molecular weight of 138.60 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethenylbenzene is sourced from PubChem (CID 14906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).