(2R,3S)-3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one

C22H18O2 — CID 1234147

IUPAC(2R,3S)-3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one
SMILESCc1ccc([C@H]2C(=O)c3ccccc3[C@@]2(O)c2ccccc2)cc1
InChIInChI=1S/C22H18O2/c1-15-11-13-16(14-12-15)20-21(23)18-9-5-6-10-19(18)22(20,24)17-7-3-2-4-8-17/h2-14,20,24H,1H3/t20-,22-/m0/s1
InChIKeyPGJFNBYODRCHKH-UNMCSNQZSA-N
MW314.38 g/mol
LogP4.21
Rot. Bonds2

About (2R,3S)-3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one

(2R,3S)-3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one (PubChem CID 1234147) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one
PubChem CID1234147
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name(2R,3S)-3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one
SMILESCc1ccc([C@H]2C(=O)c3ccccc3[C@@]2(O)c2ccccc2)cc1
InChIInChI=1S/C22H18O2/c1-15-11-13-16(14-12-15)20-21(23)18-9-5-6-10-19(18)22(20,24)17-7-3-2-4-8-17/h2-14,20,24H,1H3/t20-,22-/m0/s1
InChIKeyPGJFNBYODRCHKH-UNMCSNQZSA-N
XLogP4.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one?
The IUPAC name of (2R,3S)-3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one (CID 1234147) is (2R,3S)-3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one.
What is the SMILES notation for (2R,3S)-3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one?
The canonical SMILES for (2R,3S)-3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one is Cc1ccc([C@H]2C(=O)c3ccccc3[C@@]2(O)c2ccccc2)cc1.
What is the InChIKey of (2R,3S)-3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one?
The InChIKey is PGJFNBYODRCHKH-UNMCSNQZSA-N. The full InChI is InChI=1S/C22H18O2/c1-15-11-13-16(14-12-15)20-21(23)18-9-5-6-10-19(18)22(20,24)17-7-3-2-4-8-17/h2-14,20,24H,1H3/t20-,22-/m0/s1.
What are the key properties of (2R,3S)-3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one?
(2R,3S)-3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one has a molecular weight of 314.38 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one is sourced from PubChem (CID 1234147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).