4-chloro-2,3-dipropyl-1H-indene

C15H19Cl — CID 173085073

IUPAC4-chloro-2,3-dipropyl-1H-indene
SMILESCCCC1=C(CCC)c2c(Cl)cccc2C1
InChIInChI=1S/C15H19Cl/c1-3-6-11-10-12-8-5-9-14(16)15(12)13(11)7-4-2/h5,8-9H,3-4,6-7,10H2,1-2H3
InChIKeyLWVFNNARGDQEJB-UHFFFAOYSA-N
MW234.77 g/mol
LogP5.25
Rot. Bonds4

About 4-chloro-2,3-dipropyl-1H-indene

4-chloro-2,3-dipropyl-1H-indene (PubChem CID 173085073) has the molecular formula C15H19Cl and a molecular weight of 234.77 g/mol. Its IUPAC name is 4-chloro-2,3-dipropyl-1H-indene.

Molecular Properties

Compound Name4-chloro-2,3-dipropyl-1H-indene
PubChem CID173085073
Molecular FormulaC15H19Cl
Molecular Weight234.77 g/mol
Exact Mass234.12
IUPAC Name4-chloro-2,3-dipropyl-1H-indene
SMILESCCCC1=C(CCC)c2c(Cl)cccc2C1
InChIInChI=1S/C15H19Cl/c1-3-6-11-10-12-8-5-9-14(16)15(12)13(11)7-4-2/h5,8-9H,3-4,6-7,10H2,1-2H3
InChIKeyLWVFNNARGDQEJB-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.77
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-dipropyl-1H-indene?
The IUPAC name of 4-chloro-2,3-dipropyl-1H-indene (CID 173085073) is 4-chloro-2,3-dipropyl-1H-indene.
What is the SMILES notation for 4-chloro-2,3-dipropyl-1H-indene?
The canonical SMILES for 4-chloro-2,3-dipropyl-1H-indene is CCCC1=C(CCC)c2c(Cl)cccc2C1.
What is the InChIKey of 4-chloro-2,3-dipropyl-1H-indene?
The InChIKey is LWVFNNARGDQEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl/c1-3-6-11-10-12-8-5-9-14(16)15(12)13(11)7-4-2/h5,8-9H,3-4,6-7,10H2,1-2H3.
What are the key properties of 4-chloro-2,3-dipropyl-1H-indene?
4-chloro-2,3-dipropyl-1H-indene has a molecular weight of 234.77 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-dipropyl-1H-indene is sourced from PubChem (CID 173085073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).