4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene

C14H17Cl — CID 155578127

IUPAC4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene
SMILESCCc1c2c(c(Cl)c3c1CCC3)CCC2
InChIInChI=1S/C14H17Cl/c1-2-9-10-5-3-7-12(10)14(15)13-8-4-6-11(9)13/h2-8H2,1H3
InChIKeyWDUUXLAYIFEULA-UHFFFAOYSA-N
MW220.74 g/mol
LogP3.88
Rot. Bonds1

About 4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene

4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene (PubChem CID 155578127) has the molecular formula C14H17Cl and a molecular weight of 220.74 g/mol. Its IUPAC name is 4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene.

Molecular Properties

Compound Name4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene
PubChem CID155578127
Molecular FormulaC14H17Cl
Molecular Weight220.74 g/mol
Exact Mass220.10
IUPAC Name4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene
SMILESCCc1c2c(c(Cl)c3c1CCC3)CCC2
InChIInChI=1S/C14H17Cl/c1-2-9-10-5-3-7-12(10)14(15)13-8-4-6-11(9)13/h2-8H2,1H3
InChIKeyWDUUXLAYIFEULA-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene?
The IUPAC name of 4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene (CID 155578127) is 4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene.
What is the SMILES notation for 4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene?
The canonical SMILES for 4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene is CCc1c2c(c(Cl)c3c1CCC3)CCC2.
What is the InChIKey of 4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene?
The InChIKey is WDUUXLAYIFEULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl/c1-2-9-10-5-3-7-12(10)14(15)13-8-4-6-11(9)13/h2-8H2,1H3.
What are the key properties of 4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene?
4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene has a molecular weight of 220.74 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene is sourced from PubChem (CID 155578127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).