(4R,5S)-5-(4-bromophenyl)-4-phenyloxolan-2-one

C16H13BrO2 — CID 14947879

IUPAC(4R,5S)-5-(4-bromophenyl)-4-phenyloxolan-2-one
SMILESO=C1C[C@H](c2ccccc2)[C@@H](c2ccc(Br)cc2)O1
InChIInChI=1S/C16H13BrO2/c17-13-8-6-12(7-9-13)16-14(10-15(18)19-16)11-4-2-1-3-5-11/h1-9,14,16H,10H2/t14-,16-/m1/s1
InChIKeyVDYQMFJKZQAQCI-GDBMZVCRSA-N
MW317.18 g/mol
LogP4.22
Rot. Bonds2

About (4R,5S)-5-(4-bromophenyl)-4-phenyloxolan-2-one

(4R,5S)-5-(4-bromophenyl)-4-phenyloxolan-2-one (PubChem CID 14947879) has the molecular formula C16H13BrO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is (4R,5S)-5-(4-bromophenyl)-4-phenyloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-5-(4-bromophenyl)-4-phenyloxolan-2-one
PubChem CID14947879
Molecular FormulaC16H13BrO2
Molecular Weight317.18 g/mol
Exact Mass316.01
IUPAC Name(4R,5S)-5-(4-bromophenyl)-4-phenyloxolan-2-one
SMILESO=C1C[C@H](c2ccccc2)[C@@H](c2ccc(Br)cc2)O1
InChIInChI=1S/C16H13BrO2/c17-13-8-6-12(7-9-13)16-14(10-15(18)19-16)11-4-2-1-3-5-11/h1-9,14,16H,10H2/t14-,16-/m1/s1
InChIKeyVDYQMFJKZQAQCI-GDBMZVCRSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(4-bromophenyl)-4-phenyloxolan-2-one?
The IUPAC name of (4R,5S)-5-(4-bromophenyl)-4-phenyloxolan-2-one (CID 14947879) is (4R,5S)-5-(4-bromophenyl)-4-phenyloxolan-2-one.
What is the SMILES notation for (4R,5S)-5-(4-bromophenyl)-4-phenyloxolan-2-one?
The canonical SMILES for (4R,5S)-5-(4-bromophenyl)-4-phenyloxolan-2-one is O=C1C[C@H](c2ccccc2)[C@@H](c2ccc(Br)cc2)O1.
What is the InChIKey of (4R,5S)-5-(4-bromophenyl)-4-phenyloxolan-2-one?
The InChIKey is VDYQMFJKZQAQCI-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H13BrO2/c17-13-8-6-12(7-9-13)16-14(10-15(18)19-16)11-4-2-1-3-5-11/h1-9,14,16H,10H2/t14-,16-/m1/s1.
What are the key properties of (4R,5S)-5-(4-bromophenyl)-4-phenyloxolan-2-one?
(4R,5S)-5-(4-bromophenyl)-4-phenyloxolan-2-one has a molecular weight of 317.18 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(4-bromophenyl)-4-phenyloxolan-2-one is sourced from PubChem (CID 14947879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).