4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene

C13H17Cl — CID 166154173

IUPAC4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene
SMILESC=C(CCC)c1ccc(Cl)cc1CC
InChIInChI=1S/C13H17Cl/c1-4-6-10(3)13-8-7-12(14)9-11(13)5-2/h7-9H,3-6H2,1-2H3
InChIKeyOKKZQXMRROGRSO-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.72
Rot. Bonds4

About 4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene

4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene (PubChem CID 166154173) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene.

Molecular Properties

Compound Name4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene
PubChem CID166154173
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene
SMILESC=C(CCC)c1ccc(Cl)cc1CC
InChIInChI=1S/C13H17Cl/c1-4-6-10(3)13-8-7-12(14)9-11(13)5-2/h7-9H,3-6H2,1-2H3
InChIKeyOKKZQXMRROGRSO-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene?
The IUPAC name of 4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene (CID 166154173) is 4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene.
What is the SMILES notation for 4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene?
The canonical SMILES for 4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene is C=C(CCC)c1ccc(Cl)cc1CC.
What is the InChIKey of 4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene?
The InChIKey is OKKZQXMRROGRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c1-4-6-10(3)13-8-7-12(14)9-11(13)5-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene?
4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene has a molecular weight of 208.73 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene is sourced from PubChem (CID 166154173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).