(4S)-5-benzoyl-4-(2-bromophenyl)-6-phenyl-3,4-dihydropyran-2-one

C24H17BrO3 — CID 53483244

IUPAC(4S)-5-benzoyl-4-(2-bromophenyl)-6-phenyl-3,4-dihydropyran-2-one
SMILESO=C1C[C@H](c2ccccc2Br)C(C(=O)c2ccccc2)=C(c2ccccc2)O1
InChIInChI=1S/C24H17BrO3/c25-20-14-8-7-13-18(20)19-15-21(26)28-24(17-11-5-2-6-12-17)22(19)23(27)16-9-3-1-4-10-16/h1-14,19H,15H2/t19-/m1/s1
InChIKeyIZDDHQYYEBJJHZ-LJQANCHMSA-N
MW433.30 g/mol
LogP5.77
Rot. Bonds4

About (4S)-5-benzoyl-4-(2-bromophenyl)-6-phenyl-3,4-dihydropyran-2-one

(4S)-5-benzoyl-4-(2-bromophenyl)-6-phenyl-3,4-dihydropyran-2-one (PubChem CID 53483244) has the molecular formula C24H17BrO3 and a molecular weight of 433.30 g/mol. Its IUPAC name is (4S)-5-benzoyl-4-(2-bromophenyl)-6-phenyl-3,4-dihydropyran-2-one.

Molecular Properties

Compound Name(4S)-5-benzoyl-4-(2-bromophenyl)-6-phenyl-3,4-dihydropyran-2-one
PubChem CID53483244
Molecular FormulaC24H17BrO3
Molecular Weight433.30 g/mol
Exact Mass432.04
IUPAC Name(4S)-5-benzoyl-4-(2-bromophenyl)-6-phenyl-3,4-dihydropyran-2-one
SMILESO=C1C[C@H](c2ccccc2Br)C(C(=O)c2ccccc2)=C(c2ccccc2)O1
InChIInChI=1S/C24H17BrO3/c25-20-14-8-7-13-18(20)19-15-21(26)28-24(17-11-5-2-6-12-17)22(19)23(27)16-9-3-1-4-10-16/h1-14,19H,15H2/t19-/m1/s1
InChIKeyIZDDHQYYEBJJHZ-LJQANCHMSA-N
XLogP5.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.30
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-benzoyl-4-(2-bromophenyl)-6-phenyl-3,4-dihydropyran-2-one?
The IUPAC name of (4S)-5-benzoyl-4-(2-bromophenyl)-6-phenyl-3,4-dihydropyran-2-one (CID 53483244) is (4S)-5-benzoyl-4-(2-bromophenyl)-6-phenyl-3,4-dihydropyran-2-one.
What is the SMILES notation for (4S)-5-benzoyl-4-(2-bromophenyl)-6-phenyl-3,4-dihydropyran-2-one?
The canonical SMILES for (4S)-5-benzoyl-4-(2-bromophenyl)-6-phenyl-3,4-dihydropyran-2-one is O=C1C[C@H](c2ccccc2Br)C(C(=O)c2ccccc2)=C(c2ccccc2)O1.
What is the InChIKey of (4S)-5-benzoyl-4-(2-bromophenyl)-6-phenyl-3,4-dihydropyran-2-one?
The InChIKey is IZDDHQYYEBJJHZ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H17BrO3/c25-20-14-8-7-13-18(20)19-15-21(26)28-24(17-11-5-2-6-12-17)22(19)23(27)16-9-3-1-4-10-16/h1-14,19H,15H2/t19-/m1/s1.
What are the key properties of (4S)-5-benzoyl-4-(2-bromophenyl)-6-phenyl-3,4-dihydropyran-2-one?
(4S)-5-benzoyl-4-(2-bromophenyl)-6-phenyl-3,4-dihydropyran-2-one has a molecular weight of 433.30 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-benzoyl-4-(2-bromophenyl)-6-phenyl-3,4-dihydropyran-2-one is sourced from PubChem (CID 53483244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).