(2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one

C19H15BrO3 — CID 54671653

IUPAC(2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one
SMILESO=C1C=C[C@@H]([C@@H](CC(=O)c2ccccc2)c2ccc(Br)cc2)O1
InChIInChI=1S/C19H15BrO3/c20-15-8-6-13(7-9-15)16(18-10-11-19(22)23-18)12-17(21)14-4-2-1-3-5-14/h1-11,16,18H,12H2/t16-,18-/m0/s1
InChIKeyMAYAVPHBBBMULX-WMZOPIPTSA-N
MW371.23 g/mol
LogP4.29
Rot. Bonds5

About (2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one

(2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one (PubChem CID 54671653) has the molecular formula C19H15BrO3 and a molecular weight of 371.23 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one
PubChem CID54671653
Molecular FormulaC19H15BrO3
Molecular Weight371.23 g/mol
Exact Mass370.02
IUPAC Name(2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one
SMILESO=C1C=C[C@@H]([C@@H](CC(=O)c2ccccc2)c2ccc(Br)cc2)O1
InChIInChI=1S/C19H15BrO3/c20-15-8-6-13(7-9-15)16(18-10-11-19(22)23-18)12-17(21)14-4-2-1-3-5-14/h1-11,16,18H,12H2/t16-,18-/m0/s1
InChIKeyMAYAVPHBBBMULX-WMZOPIPTSA-N
XLogP4.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one?
The IUPAC name of (2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one (CID 54671653) is (2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one is O=C1C=C[C@@H]([C@@H](CC(=O)c2ccccc2)c2ccc(Br)cc2)O1.
What is the InChIKey of (2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one?
The InChIKey is MAYAVPHBBBMULX-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H15BrO3/c20-15-8-6-13(7-9-15)16(18-10-11-19(22)23-18)12-17(21)14-4-2-1-3-5-14/h1-11,16,18H,12H2/t16-,18-/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one?
(2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one has a molecular weight of 371.23 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one is sourced from PubChem (CID 54671653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).