(4R,5R)-5-(4-fluorobenzoyl)-5-(4-fluorophenyl)-4-phenyloxolan-2-one

C23H16F2O3 — CID 102138938

IUPAC(4R,5R)-5-(4-fluorobenzoyl)-5-(4-fluorophenyl)-4-phenyloxolan-2-one
SMILESO=C1C[C@H](c2ccccc2)[C@](C(=O)c2ccc(F)cc2)(c2ccc(F)cc2)O1
InChIInChI=1S/C23H16F2O3/c24-18-10-6-16(7-11-18)22(27)23(17-8-12-19(25)13-9-17)20(14-21(26)28-23)15-4-2-1-3-5-15/h1-13,20H,14H2/t20-,23+/m1/s1
InChIKeyMCAMSLAOFKVGPL-OFNKIYASSA-N
MW378.37 g/mol
LogP4.77
Rot. Bonds4

About (4R,5R)-5-(4-fluorobenzoyl)-5-(4-fluorophenyl)-4-phenyloxolan-2-one

(4R,5R)-5-(4-fluorobenzoyl)-5-(4-fluorophenyl)-4-phenyloxolan-2-one (PubChem CID 102138938) has the molecular formula C23H16F2O3 and a molecular weight of 378.37 g/mol. Its IUPAC name is (4R,5R)-5-(4-fluorobenzoyl)-5-(4-fluorophenyl)-4-phenyloxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(4-fluorobenzoyl)-5-(4-fluorophenyl)-4-phenyloxolan-2-one
PubChem CID102138938
Molecular FormulaC23H16F2O3
Molecular Weight378.37 g/mol
Exact Mass378.11
IUPAC Name(4R,5R)-5-(4-fluorobenzoyl)-5-(4-fluorophenyl)-4-phenyloxolan-2-one
SMILESO=C1C[C@H](c2ccccc2)[C@](C(=O)c2ccc(F)cc2)(c2ccc(F)cc2)O1
InChIInChI=1S/C23H16F2O3/c24-18-10-6-16(7-11-18)22(27)23(17-8-12-19(25)13-9-17)20(14-21(26)28-23)15-4-2-1-3-5-15/h1-13,20H,14H2/t20-,23+/m1/s1
InChIKeyMCAMSLAOFKVGPL-OFNKIYASSA-N
XLogP4.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Mls002608257
CID 237296
DL-Benzoin benzoate
CID 246708
1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)-
CID 290626
2-Oxo-1,2-diphenylethyl 4-fluorobenzoate
CID 2898075
(2-Oxo-1,2-diphenylethyl) 2-fluorobenzoate
CID 4160026
2-Oxo-1,2-diphenylethyl 3-fluorobenzoate
CID 16645457
3,3-Bis(2-methylphenyl)-2-benzofuran-1(3h)-one
CID 285973
[2-(4-Fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2358679
phenyl-[(2S,3S)-2-phenyl-3-(trifluoromethyl)oxan-2-yl]methanone
CID 102435692
(1S)-8-fluorospiro[naphthalene-1,5'-oxolane]-2,2'-dione
CID 117997189
p-Phenylphenacyl benzoate
CID 344655
Phenacyl 2-phenylbenzoate
CID 765458

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(4-fluorobenzoyl)-5-(4-fluorophenyl)-4-phenyloxolan-2-one?
The IUPAC name of (4R,5R)-5-(4-fluorobenzoyl)-5-(4-fluorophenyl)-4-phenyloxolan-2-one (CID 102138938) is (4R,5R)-5-(4-fluorobenzoyl)-5-(4-fluorophenyl)-4-phenyloxolan-2-one.
What is the SMILES notation for (4R,5R)-5-(4-fluorobenzoyl)-5-(4-fluorophenyl)-4-phenyloxolan-2-one?
The canonical SMILES for (4R,5R)-5-(4-fluorobenzoyl)-5-(4-fluorophenyl)-4-phenyloxolan-2-one is O=C1C[C@H](c2ccccc2)[C@](C(=O)c2ccc(F)cc2)(c2ccc(F)cc2)O1.
What is the InChIKey of (4R,5R)-5-(4-fluorobenzoyl)-5-(4-fluorophenyl)-4-phenyloxolan-2-one?
The InChIKey is MCAMSLAOFKVGPL-OFNKIYASSA-N. The full InChI is InChI=1S/C23H16F2O3/c24-18-10-6-16(7-11-18)22(27)23(17-8-12-19(25)13-9-17)20(14-21(26)28-23)15-4-2-1-3-5-15/h1-13,20H,14H2/t20-,23+/m1/s1.
What are the key properties of (4R,5R)-5-(4-fluorobenzoyl)-5-(4-fluorophenyl)-4-phenyloxolan-2-one?
(4R,5R)-5-(4-fluorobenzoyl)-5-(4-fluorophenyl)-4-phenyloxolan-2-one has a molecular weight of 378.37 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(4-fluorobenzoyl)-5-(4-fluorophenyl)-4-phenyloxolan-2-one is sourced from PubChem (CID 102138938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).