[(1R,2S,3R,4S)-2,3-dibenzoyl-4-hydroxy-4-phenylcyclopentyl]-phenylmethanone

C32H26O4 — CID 10254313

IUPAC[(1R,2S,3R,4S)-2,3-dibenzoyl-4-hydroxy-4-phenylcyclopentyl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@](O)(c2ccccc2)C[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C32H26O4/c33-29(22-13-5-1-6-14-22)26-21-32(36,25-19-11-4-12-20-25)28(31(35)24-17-9-3-10-18-24)27(26)30(34)23-15-7-2-8-16-23/h1-20,26-28,36H,21H2/t26-,27+,28+,32-/m1/s1
InChIKeyMFGHUWSWDMXWSY-QODLHPCFSA-N
MW474.56 g/mol
LogP5.78
Rot. Bonds7

About [(1R,2S,3R,4S)-2,3-dibenzoyl-4-hydroxy-4-phenylcyclopentyl]-phenylmethanone

[(1R,2S,3R,4S)-2,3-dibenzoyl-4-hydroxy-4-phenylcyclopentyl]-phenylmethanone (PubChem CID 10254313) has the molecular formula C32H26O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is [(1R,2S,3R,4S)-2,3-dibenzoyl-4-hydroxy-4-phenylcyclopentyl]-phenylmethanone.

Molecular Properties

Compound Name[(1R,2S,3R,4S)-2,3-dibenzoyl-4-hydroxy-4-phenylcyclopentyl]-phenylmethanone
PubChem CID10254313
Molecular FormulaC32H26O4
Molecular Weight474.56 g/mol
Exact Mass474.18
IUPAC Name[(1R,2S,3R,4S)-2,3-dibenzoyl-4-hydroxy-4-phenylcyclopentyl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@](O)(c2ccccc2)C[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C32H26O4/c33-29(22-13-5-1-6-14-22)26-21-32(36,25-19-11-4-12-20-25)28(31(35)24-17-9-3-10-18-24)27(26)30(34)23-15-7-2-8-16-23/h1-20,26-28,36H,21H2/t26-,27+,28+,32-/m1/s1
InChIKeyMFGHUWSWDMXWSY-QODLHPCFSA-N
XLogP5.78
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R,4S)-2,3-dibenzoyl-4-hydroxy-4-phenylcyclopentyl]-phenylmethanone?
The IUPAC name of [(1R,2S,3R,4S)-2,3-dibenzoyl-4-hydroxy-4-phenylcyclopentyl]-phenylmethanone (CID 10254313) is [(1R,2S,3R,4S)-2,3-dibenzoyl-4-hydroxy-4-phenylcyclopentyl]-phenylmethanone.
What is the SMILES notation for [(1R,2S,3R,4S)-2,3-dibenzoyl-4-hydroxy-4-phenylcyclopentyl]-phenylmethanone?
The canonical SMILES for [(1R,2S,3R,4S)-2,3-dibenzoyl-4-hydroxy-4-phenylcyclopentyl]-phenylmethanone is O=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@](O)(c2ccccc2)C[C@H]1C(=O)c1ccccc1.
What is the InChIKey of [(1R,2S,3R,4S)-2,3-dibenzoyl-4-hydroxy-4-phenylcyclopentyl]-phenylmethanone?
The InChIKey is MFGHUWSWDMXWSY-QODLHPCFSA-N. The full InChI is InChI=1S/C32H26O4/c33-29(22-13-5-1-6-14-22)26-21-32(36,25-19-11-4-12-20-25)28(31(35)24-17-9-3-10-18-24)27(26)30(34)23-15-7-2-8-16-23/h1-20,26-28,36H,21H2/t26-,27+,28+,32-/m1/s1.
What are the key properties of [(1R,2S,3R,4S)-2,3-dibenzoyl-4-hydroxy-4-phenylcyclopentyl]-phenylmethanone?
[(1R,2S,3R,4S)-2,3-dibenzoyl-4-hydroxy-4-phenylcyclopentyl]-phenylmethanone has a molecular weight of 474.56 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R,4S)-2,3-dibenzoyl-4-hydroxy-4-phenylcyclopentyl]-phenylmethanone is sourced from PubChem (CID 10254313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).