(3R,4S)-3,4-dibenzyloxolan-2-one

C18H18O2 — CID 14546898

IUPAC(3R,4S)-3,4-dibenzyloxolan-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C18H18O2/c19-18-17(12-15-9-5-2-6-10-15)16(13-20-18)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2/t16-,17-/m1/s1
InChIKeyQELUJSMWHDHUTE-IAGOWNOFSA-N
MW266.34 g/mol
LogP3.26
Rot. Bonds4

About (3R,4S)-3,4-dibenzyloxolan-2-one

(3R,4S)-3,4-dibenzyloxolan-2-one (PubChem CID 14546898) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (3R,4S)-3,4-dibenzyloxolan-2-one.

Molecular Properties

Compound Name(3R,4S)-3,4-dibenzyloxolan-2-one
PubChem CID14546898
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(3R,4S)-3,4-dibenzyloxolan-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C18H18O2/c19-18-17(12-15-9-5-2-6-10-15)16(13-20-18)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2/t16-,17-/m1/s1
InChIKeyQELUJSMWHDHUTE-IAGOWNOFSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-3-methyloxolan-2-one
CID 86193814
(3S,4R)-4-benzyl-5-oxooxolane-3-carboxylic acid
CID 102287294
(4S)-3-benzyl-4-propan-2-yloxolan-2-one
CID 58743247
(3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one
CID 11580724
3,4-bis[(3-methoxy-4-phenylmethoxyphenyl)(113C)methyl]oxolan-2-one
CID 158275652
4-[(3-chlorophenyl)methyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 163684828
(3S,4S)-4-[2-(3-hydroxyphenyl)ethyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 166826069
ethyl (3S,4S)-4-benzyl-5-oxooxolane-3-carboxylate
CID 102287301
4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one
CID 59801682
(3R,4R)-4-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxolan-2-one
CID 71575250
3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one
CID 163716986
(3R,4R)-4-[(2,3-dihydroxyphenyl)methyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 131753174

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dibenzyloxolan-2-one?
The IUPAC name of (3R,4S)-3,4-dibenzyloxolan-2-one (CID 14546898) is (3R,4S)-3,4-dibenzyloxolan-2-one.
What is the SMILES notation for (3R,4S)-3,4-dibenzyloxolan-2-one?
The canonical SMILES for (3R,4S)-3,4-dibenzyloxolan-2-one is O=C1OC[C@@H](Cc2ccccc2)[C@H]1Cc1ccccc1.
What is the InChIKey of (3R,4S)-3,4-dibenzyloxolan-2-one?
The InChIKey is QELUJSMWHDHUTE-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H18O2/c19-18-17(12-15-9-5-2-6-10-15)16(13-20-18)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2/t16-,17-/m1/s1.
What are the key properties of (3R,4S)-3,4-dibenzyloxolan-2-one?
(3R,4S)-3,4-dibenzyloxolan-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dibenzyloxolan-2-one is sourced from PubChem (CID 14546898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).