1-chloro-3-ethenyl-5-ethylbenzene

C10H11Cl — CID 171067691

IUPAC1-chloro-3-ethenyl-5-ethylbenzene
SMILESC=Cc1cc(Cl)cc(CC)c1
InChIInChI=1S/C10H11Cl/c1-3-8-5-9(4-2)7-10(11)6-8/h3,5-7H,1,4H2,2H3
InChIKeyVQTJYLKNSQLLLW-UHFFFAOYSA-N
MW166.65 g/mol
LogP3.55
Rot. Bonds2

About 1-chloro-3-ethenyl-5-ethylbenzene

1-chloro-3-ethenyl-5-ethylbenzene (PubChem CID 171067691) has the molecular formula C10H11Cl and a molecular weight of 166.65 g/mol. Its IUPAC name is 1-chloro-3-ethenyl-5-ethylbenzene.

Molecular Properties

Compound Name1-chloro-3-ethenyl-5-ethylbenzene
PubChem CID171067691
Molecular FormulaC10H11Cl
Molecular Weight166.65 g/mol
Exact Mass166.05
IUPAC Name1-chloro-3-ethenyl-5-ethylbenzene
SMILESC=Cc1cc(Cl)cc(CC)c1
InChIInChI=1S/C10H11Cl/c1-3-8-5-9(4-2)7-10(11)6-8/h3,5-7H,1,4H2,2H3
InChIKeyVQTJYLKNSQLLLW-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

methyl 3-ethenyl-5-ethylbenzoate
CID 118269406
1-(3-chloro-5-ethylphenyl)-N-methylmethanamine
CID 84659368
3-chloro-5-ethylbenzonitrile
CID 89040828
1-chloro-3-(3-chloropropyl)-5-ethylbenzene
CID 170836776
4-ethenyl-2,6-diethylpyridine
CID 23503903
1,3,5-tris(ethenyl)benzene
CID 10219562
4-(3-chloro-5-ethylphenyl)oxane-2,6-dione
CID 176947377
1-chloro-4-ethenyl-2-ethylbenzene
CID 118268991
1-(3-chloro-5-ethylphenyl)ethanamine
CID 84659367
1-chloro-4-ethenylbenzene;ethanol
CID 175389019
1-ethyl-3,5-bis(prop-2-enyl)benzene
CID 158269021
2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid
CID 117305915

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethenyl-5-ethylbenzene?
The IUPAC name of 1-chloro-3-ethenyl-5-ethylbenzene (CID 171067691) is 1-chloro-3-ethenyl-5-ethylbenzene.
What is the SMILES notation for 1-chloro-3-ethenyl-5-ethylbenzene?
The canonical SMILES for 1-chloro-3-ethenyl-5-ethylbenzene is C=Cc1cc(Cl)cc(CC)c1.
What is the InChIKey of 1-chloro-3-ethenyl-5-ethylbenzene?
The InChIKey is VQTJYLKNSQLLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl/c1-3-8-5-9(4-2)7-10(11)6-8/h3,5-7H,1,4H2,2H3.
What are the key properties of 1-chloro-3-ethenyl-5-ethylbenzene?
1-chloro-3-ethenyl-5-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 1-chloro-3-ethenyl-5-ethylbenzene is sourced from PubChem (CID 171067691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).