(1R,2S,3S)-1-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-dihydroindene

C23H21Cl — CID 135024671

IUPAC(1R,2S,3S)-1-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-dihydroindene
SMILESC[C@H]1[C@H](c2ccc(Cl)cc2)c2ccccc2[C@]1(C)c1ccccc1
InChIInChI=1S/C23H21Cl/c1-16-22(17-12-14-19(24)15-13-17)20-10-6-7-11-21(20)23(16,2)18-8-4-3-5-9-18/h3-16,22H,1-2H3/t16-,22+,23-/m0/s1
InChIKeyXARFPXPBOFEFIG-FNVCAUGXSA-N
MW332.87 g/mol
LogP6.43
Rot. Bonds2

About (1R,2S,3S)-1-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-dihydroindene

(1R,2S,3S)-1-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-dihydroindene (PubChem CID 135024671) has the molecular formula C23H21Cl and a molecular weight of 332.87 g/mol. Its IUPAC name is (1R,2S,3S)-1-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-dihydroindene.

Molecular Properties

Compound Name(1R,2S,3S)-1-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-dihydroindene
PubChem CID135024671
Molecular FormulaC23H21Cl
Molecular Weight332.87 g/mol
Exact Mass332.13
IUPAC Name(1R,2S,3S)-1-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-dihydroindene
SMILESC[C@H]1[C@H](c2ccc(Cl)cc2)c2ccccc2[C@]1(C)c1ccccc1
InChIInChI=1S/C23H21Cl/c1-16-22(17-12-14-19(24)15-13-17)20-10-6-7-11-21(20)23(16,2)18-8-4-3-5-9-18/h3-16,22H,1-2H3/t16-,22+,23-/m0/s1
InChIKeyXARFPXPBOFEFIG-FNVCAUGXSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.87
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S)-1-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-dihydroindene?
The IUPAC name of (1R,2S,3S)-1-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-dihydroindene (CID 135024671) is (1R,2S,3S)-1-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-dihydroindene.
What is the SMILES notation for (1R,2S,3S)-1-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-dihydroindene?
The canonical SMILES for (1R,2S,3S)-1-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-dihydroindene is C[C@H]1[C@H](c2ccc(Cl)cc2)c2ccccc2[C@]1(C)c1ccccc1.
What is the InChIKey of (1R,2S,3S)-1-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-dihydroindene?
The InChIKey is XARFPXPBOFEFIG-FNVCAUGXSA-N. The full InChI is InChI=1S/C23H21Cl/c1-16-22(17-12-14-19(24)15-13-17)20-10-6-7-11-21(20)23(16,2)18-8-4-3-5-9-18/h3-16,22H,1-2H3/t16-,22+,23-/m0/s1.
What are the key properties of (1R,2S,3S)-1-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-dihydroindene?
(1R,2S,3S)-1-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-dihydroindene has a molecular weight of 332.87 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S)-1-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-dihydroindene is sourced from PubChem (CID 135024671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).