(2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one

C22H18O — CID 53475427

IUPAC(2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one
SMILESCc1ccccc1[C@H]1C(=O)c2ccccc2[C@@H]1c1ccccc1
InChIInChI=1S/C22H18O/c1-15-9-5-6-12-17(15)21-20(16-10-3-2-4-11-16)18-13-7-8-14-19(18)22(21)23/h2-14,20-21H,1H3/t20-,21+/m0/s1
InChIKeyFBMDNMMDTMBRCT-LEWJYISDSA-N
MW298.39 g/mol
LogP5.11
Rot. Bonds2

About (2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one

(2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one (PubChem CID 53475427) has the molecular formula C22H18O and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one
PubChem CID53475427
Molecular FormulaC22H18O
Molecular Weight298.39 g/mol
Exact Mass298.14
IUPAC Name(2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one
SMILESCc1ccccc1[C@H]1C(=O)c2ccccc2[C@@H]1c1ccccc1
InChIInChI=1S/C22H18O/c1-15-9-5-6-12-17(15)21-20(16-10-3-2-4-11-16)18-13-7-8-14-19(18)22(21)23/h2-14,20-21H,1H3/t20-,21+/m0/s1
InChIKeyFBMDNMMDTMBRCT-LEWJYISDSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one?
The IUPAC name of (2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one (CID 53475427) is (2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one.
What is the SMILES notation for (2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one?
The canonical SMILES for (2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one is Cc1ccccc1[C@H]1C(=O)c2ccccc2[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one?
The InChIKey is FBMDNMMDTMBRCT-LEWJYISDSA-N. The full InChI is InChI=1S/C22H18O/c1-15-9-5-6-12-17(15)21-20(16-10-3-2-4-11-16)18-13-7-8-14-19(18)22(21)23/h2-14,20-21H,1H3/t20-,21+/m0/s1.
What are the key properties of (2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one?
(2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one has a molecular weight of 298.39 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 53475427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).