(1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene

C13H17Cl — CID 71027763

IUPAC(1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene
SMILESCC(C)(C)[C@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C13H17Cl/c1-13(2,3)12-7-4-9-8-10(14)5-6-11(9)12/h5-6,8,12H,4,7H2,1-3H3/t12-/m0/s1
InChIKeyLLRDTZTXSJHACX-LBPRGKRZSA-N
MW208.73 g/mol
LogP4.42
Rot. Bonds

About (1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene

(1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene (PubChem CID 71027763) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is (1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene
PubChem CID71027763
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name(1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene
SMILESCC(C)(C)[C@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C13H17Cl/c1-13(2,3)12-7-4-9-8-10(14)5-6-11(9)12/h5-6,8,12H,4,7H2,1-3H3/t12-/m0/s1
InChIKeyLLRDTZTXSJHACX-LBPRGKRZSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene?
The IUPAC name of (1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene (CID 71027763) is (1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene?
The canonical SMILES for (1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene is CC(C)(C)[C@H]1CCc2cc(Cl)ccc21.
What is the InChIKey of (1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene?
The InChIKey is LLRDTZTXSJHACX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17Cl/c1-13(2,3)12-7-4-9-8-10(14)5-6-11(9)12/h5-6,8,12H,4,7H2,1-3H3/t12-/m0/s1.
What are the key properties of (1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene?
(1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene has a molecular weight of 208.73 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene is sourced from PubChem (CID 71027763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).