(3R,4S)-4-benzyl-3-phenyloxolan-2-one

C17H16O2 — CID 170990000

IUPAC(3R,4S)-4-benzyl-3-phenyloxolan-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H16O2/c18-17-16(14-9-5-2-6-10-14)15(12-19-17)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+/m1/s1
InChIKeyLJJDTIMDCODTPM-CVEARBPZSA-N
MW252.31 g/mol
LogP3.19
Rot. Bonds3

About (3R,4S)-4-benzyl-3-phenyloxolan-2-one

(3R,4S)-4-benzyl-3-phenyloxolan-2-one (PubChem CID 170990000) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (3R,4S)-4-benzyl-3-phenyloxolan-2-one.

Molecular Properties

Compound Name(3R,4S)-4-benzyl-3-phenyloxolan-2-one
PubChem CID170990000
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(3R,4S)-4-benzyl-3-phenyloxolan-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H16O2/c18-17-16(14-9-5-2-6-10-14)15(12-19-17)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+/m1/s1
InChIKeyLJJDTIMDCODTPM-CVEARBPZSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-benzyl-3-phenyloxolan-2-one?
The IUPAC name of (3R,4S)-4-benzyl-3-phenyloxolan-2-one (CID 170990000) is (3R,4S)-4-benzyl-3-phenyloxolan-2-one.
What is the SMILES notation for (3R,4S)-4-benzyl-3-phenyloxolan-2-one?
The canonical SMILES for (3R,4S)-4-benzyl-3-phenyloxolan-2-one is O=C1OC[C@@H](Cc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-4-benzyl-3-phenyloxolan-2-one?
The InChIKey is LJJDTIMDCODTPM-CVEARBPZSA-N. The full InChI is InChI=1S/C17H16O2/c18-17-16(14-9-5-2-6-10-14)15(12-19-17)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+/m1/s1.
What are the key properties of (3R,4S)-4-benzyl-3-phenyloxolan-2-one?
(3R,4S)-4-benzyl-3-phenyloxolan-2-one has a molecular weight of 252.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-benzyl-3-phenyloxolan-2-one is sourced from PubChem (CID 170990000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).