(1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene

C11H13Cl — CID 155718281

IUPAC(1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene
SMILESCC[C@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C11H13Cl/c1-2-8-3-4-9-7-10(12)5-6-11(8)9/h5-8H,2-4H2,1H3/t8-/m0/s1
InChIKeyLMRHZBVPOZSBBH-QMMMGPOBSA-N
MW180.68 g/mol
LogP3.78
Rot. Bonds1

About (1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene

(1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene (PubChem CID 155718281) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is (1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene
PubChem CID155718281
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name(1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene
SMILESCC[C@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C11H13Cl/c1-2-8-3-4-9-7-10(12)5-6-11(8)9/h5-8H,2-4H2,1H3/t8-/m0/s1
InChIKeyLMRHZBVPOZSBBH-QMMMGPOBSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene?
The IUPAC name of (1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene (CID 155718281) is (1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene.
What is the SMILES notation for (1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene?
The canonical SMILES for (1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene is CC[C@H]1CCc2cc(Cl)ccc21.
What is the InChIKey of (1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene?
The InChIKey is LMRHZBVPOZSBBH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13Cl/c1-2-8-3-4-9-7-10(12)5-6-11(8)9/h5-8H,2-4H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene?
(1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene has a molecular weight of 180.68 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 155718281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).