(3R,4S,5R)-4-benzoyl-3-hydroxy-3,5-diphenylcyclohexan-1-one

C25H22O3 — CID 101352069

IUPAC(3R,4S,5R)-4-benzoyl-3-hydroxy-3,5-diphenylcyclohexan-1-one
SMILESO=C1C[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C1
InChIInChI=1S/C25H22O3/c26-21-16-22(18-10-4-1-5-11-18)23(24(27)19-12-6-2-7-13-19)25(28,17-21)20-14-8-3-9-15-20/h1-15,22-23,28H,16-17H2/t22-,23+,25-/m0/s1
InChIKeyIEMFJHHANFICEQ-ARNLJNQMSA-N
MW370.45 g/mol
LogP4.52
Rot. Bonds4

About (3R,4S,5R)-4-benzoyl-3-hydroxy-3,5-diphenylcyclohexan-1-one

(3R,4S,5R)-4-benzoyl-3-hydroxy-3,5-diphenylcyclohexan-1-one (PubChem CID 101352069) has the molecular formula C25H22O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (3R,4S,5R)-4-benzoyl-3-hydroxy-3,5-diphenylcyclohexan-1-one.

Molecular Properties

Compound Name(3R,4S,5R)-4-benzoyl-3-hydroxy-3,5-diphenylcyclohexan-1-one
PubChem CID101352069
Molecular FormulaC25H22O3
Molecular Weight370.45 g/mol
Exact Mass370.16
IUPAC Name(3R,4S,5R)-4-benzoyl-3-hydroxy-3,5-diphenylcyclohexan-1-one
SMILESO=C1C[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C1
InChIInChI=1S/C25H22O3/c26-21-16-22(18-10-4-1-5-11-18)23(24(27)19-12-6-2-7-13-19)25(28,17-21)20-14-8-3-9-15-20/h1-15,22-23,28H,16-17H2/t22-,23+,25-/m0/s1
InChIKeyIEMFJHHANFICEQ-ARNLJNQMSA-N
XLogP4.52
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-4-benzoyl-3-hydroxy-3,5-diphenylcyclohexan-1-one?
The IUPAC name of (3R,4S,5R)-4-benzoyl-3-hydroxy-3,5-diphenylcyclohexan-1-one (CID 101352069) is (3R,4S,5R)-4-benzoyl-3-hydroxy-3,5-diphenylcyclohexan-1-one.
What is the SMILES notation for (3R,4S,5R)-4-benzoyl-3-hydroxy-3,5-diphenylcyclohexan-1-one?
The canonical SMILES for (3R,4S,5R)-4-benzoyl-3-hydroxy-3,5-diphenylcyclohexan-1-one is O=C1C[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C1.
What is the InChIKey of (3R,4S,5R)-4-benzoyl-3-hydroxy-3,5-diphenylcyclohexan-1-one?
The InChIKey is IEMFJHHANFICEQ-ARNLJNQMSA-N. The full InChI is InChI=1S/C25H22O3/c26-21-16-22(18-10-4-1-5-11-18)23(24(27)19-12-6-2-7-13-19)25(28,17-21)20-14-8-3-9-15-20/h1-15,22-23,28H,16-17H2/t22-,23+,25-/m0/s1.
What are the key properties of (3R,4S,5R)-4-benzoyl-3-hydroxy-3,5-diphenylcyclohexan-1-one?
(3R,4S,5R)-4-benzoyl-3-hydroxy-3,5-diphenylcyclohexan-1-one has a molecular weight of 370.45 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-4-benzoyl-3-hydroxy-3,5-diphenylcyclohexan-1-one is sourced from PubChem (CID 101352069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).