4-chloro-2-ethenyl-1-ethylbenzene

C10H11Cl — CID 118269080

IUPAC4-chloro-2-ethenyl-1-ethylbenzene
SMILESC=Cc1cc(Cl)ccc1CC
InChIInChI=1S/C10H11Cl/c1-3-8-5-6-10(11)7-9(8)4-2/h4-7H,2-3H2,1H3
InChIKeyQNDJZBWGBCOELQ-UHFFFAOYSA-N
MW166.65 g/mol
LogP3.55
Rot. Bonds2

About 4-chloro-2-ethenyl-1-ethylbenzene

4-chloro-2-ethenyl-1-ethylbenzene (PubChem CID 118269080) has the molecular formula C10H11Cl and a molecular weight of 166.65 g/mol. Its IUPAC name is 4-chloro-2-ethenyl-1-ethylbenzene.

Molecular Properties

Compound Name4-chloro-2-ethenyl-1-ethylbenzene
PubChem CID118269080
Molecular FormulaC10H11Cl
Molecular Weight166.65 g/mol
Exact Mass166.05
IUPAC Name4-chloro-2-ethenyl-1-ethylbenzene
SMILESC=Cc1cc(Cl)ccc1CC
InChIInChI=1S/C10H11Cl/c1-3-8-5-6-10(11)7-9(8)4-2/h4-7H,2-3H2,1H3
InChIKeyQNDJZBWGBCOELQ-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123275619
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4-chloro-2-ethenyl-N,N-dimethylaniline
CID 143235220
4-chloro-1-ethyl-2-propylbenzene
CID 144500548
4-chloro-2-ethenylbenzamide
CID 15111018
(4-chloro-2-ethylphenyl)methylidenehydrazine
CID 168530938
1-ethenyl-2-ethyl-4-methylbenzene
CID 18626822
1,4-bis(ethenyl)-2-ethylbenzene
CID 57040233
azane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride
CID 175185911

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethenyl-1-ethylbenzene?
The IUPAC name of 4-chloro-2-ethenyl-1-ethylbenzene (CID 118269080) is 4-chloro-2-ethenyl-1-ethylbenzene.
What is the SMILES notation for 4-chloro-2-ethenyl-1-ethylbenzene?
The canonical SMILES for 4-chloro-2-ethenyl-1-ethylbenzene is C=Cc1cc(Cl)ccc1CC.
What is the InChIKey of 4-chloro-2-ethenyl-1-ethylbenzene?
The InChIKey is QNDJZBWGBCOELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl/c1-3-8-5-6-10(11)7-9(8)4-2/h4-7H,2-3H2,1H3.
What are the key properties of 4-chloro-2-ethenyl-1-ethylbenzene?
4-chloro-2-ethenyl-1-ethylbenzene has a molecular weight of 166.65 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethenyl-1-ethylbenzene is sourced from PubChem (CID 118269080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).