(2S)-2-benzyloxetan-3-one

C10H10O2 — CID 20612032

IUPAC(2S)-2-benzyloxetan-3-one
SMILESO=C1CO[C@H]1Cc1ccccc1
InChIInChI=1S/C10H10O2/c11-9-7-12-10(9)6-8-4-2-1-3-5-8/h1-5,10H,6-7H2/t10-/m0/s1
InChIKeyYCQKQLGMXZKXCG-JTQLQIEISA-N
MW162.19 g/mol
LogP1.20
Rot. Bonds2

About (2S)-2-benzyloxetan-3-one

(2S)-2-benzyloxetan-3-one (PubChem CID 20612032) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (2S)-2-benzyloxetan-3-one.

Molecular Properties

Compound Name(2S)-2-benzyloxetan-3-one
PubChem CID20612032
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(2S)-2-benzyloxetan-3-one
SMILESO=C1CO[C@H]1Cc1ccccc1
InChIInChI=1S/C10H10O2/c11-9-7-12-10(9)6-8-4-2-1-3-5-8/h1-5,10H,6-7H2/t10-/m0/s1
InChIKeyYCQKQLGMXZKXCG-JTQLQIEISA-N
XLogP1.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isopropyl Phenylacetate
CID 62553
3-Hydroxy-4-phenylbutan-2-one
CID 6428929
Ethyl alpha-oxobenzenebutanoate
CID 562087
2-Methoxy-1-phenylethanone
CID 77698
Methyl 2-oxo-3-phenylpropanoate
CID 562359
2-Methoxy-6-benzyl-1,4-benzoquinone
CID 11775935
Ethyl 2-oxo-3-phenylpropanoate
CID 12292599
Sec-butyl phenylacetate
CID 228649
2-Phenyloxetan-3-one
CID 13111189
1-Hydroxy-4-phenylbutan-2-one
CID 15090463
2-Ethoxy-1-phenylethan-1-one
CID 139841
2-Oxopropyl phenylacetate
CID 245441

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyloxetan-3-one?
The IUPAC name of (2S)-2-benzyloxetan-3-one (CID 20612032) is (2S)-2-benzyloxetan-3-one.
What is the SMILES notation for (2S)-2-benzyloxetan-3-one?
The canonical SMILES for (2S)-2-benzyloxetan-3-one is O=C1CO[C@H]1Cc1ccccc1.
What is the InChIKey of (2S)-2-benzyloxetan-3-one?
The InChIKey is YCQKQLGMXZKXCG-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10O2/c11-9-7-12-10(9)6-8-4-2-1-3-5-8/h1-5,10H,6-7H2/t10-/m0/s1.
What are the key properties of (2S)-2-benzyloxetan-3-one?
(2S)-2-benzyloxetan-3-one has a molecular weight of 162.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyloxetan-3-one is sourced from PubChem (CID 20612032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).