(1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene

C15H12Cl2 — CID 129405682

IUPAC(1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
SMILESClc1cccc([C@@H]2C[C@@H](Cl)c3ccccc32)c1
InChIInChI=1S/C15H12Cl2/c16-11-5-3-4-10(8-11)14-9-15(17)13-7-2-1-6-12(13)14/h1-8,14-15H,9H2/t14-,15+/m0/s1
InChIKeyIOTSXAKXGMJHOR-LSDHHAIUSA-N
MW263.17 g/mol
LogP5.16
Rot. Bonds1

About (1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene

(1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene (PubChem CID 129405682) has the molecular formula C15H12Cl2 and a molecular weight of 263.17 g/mol. Its IUPAC name is (1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
PubChem CID129405682
Molecular FormulaC15H12Cl2
Molecular Weight263.17 g/mol
Exact Mass262.03
IUPAC Name(1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
SMILESClc1cccc([C@@H]2C[C@@H](Cl)c3ccccc32)c1
InChIInChI=1S/C15H12Cl2/c16-11-5-3-4-10(8-11)14-9-15(17)13-7-2-1-6-12(13)14/h1-8,14-15H,9H2/t14-,15+/m0/s1
InChIKeyIOTSXAKXGMJHOR-LSDHHAIUSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.17
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R,3R)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
CID 129405683
(1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene
CID 129382987
5-[(1S,3R)-3-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-benzodioxole
CID 129392555
(1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 76969208
3-(3-chlorophenyl)-2,3-dihydro-1H-indole
CID 18675457
5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-ol
CID 19037265
4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine
CID 57273771
(1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene
CID 129405694
1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene
CID 15269278
4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 141006073
5-(3-chlorophenyl)-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one
CID 15585559
3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole
CID 18675452

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene?
The IUPAC name of (1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene (CID 129405682) is (1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene?
The canonical SMILES for (1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene is Clc1cccc([C@@H]2C[C@@H](Cl)c3ccccc32)c1.
What is the InChIKey of (1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene?
The InChIKey is IOTSXAKXGMJHOR-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H12Cl2/c16-11-5-3-4-10(8-11)14-9-15(17)13-7-2-1-6-12(13)14/h1-8,14-15H,9H2/t14-,15+/m0/s1.
What are the key properties of (1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene?
(1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene has a molecular weight of 263.17 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 129405682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).