(1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one

C13H16O2 — CID 134925712

IUPAC(1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one
SMILESCC(=O)[C@@H](c1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C13H16O2/c1-10(14)13(12-8-5-9-15-12)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-9H2,1H3/t12-,13+/m1/s1
InChIKeyJZMYUYZYJQXQOX-OLZOCXBDSA-N
MW204.27 g/mol
LogP2.54
Rot. Bonds3

About (1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one

(1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one (PubChem CID 134925712) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one.

Molecular Properties

Compound Name(1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one
PubChem CID134925712
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one
SMILESCC(=O)[C@@H](c1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C13H16O2/c1-10(14)13(12-8-5-9-15-12)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-9H2,1H3/t12-,13+/m1/s1
InChIKeyJZMYUYZYJQXQOX-OLZOCXBDSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(1S)-1-phenylethyl]oxolane
CID 118374007
(2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane
CID 118371657
2-[chloro(phenyl)methyl]oxolane
CID 11084790
2-(methylamino)-N-[oxolan-2-yl(phenyl)methyl]acetamide
CID 119757394
2-amino-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119292175
methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate
CID 135058981
2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide
CID 62878936
2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124625518
(2S)-2-(1-phenylselanylethyl)oxolane
CID 137284926
(2R)-2-[(1S)-1-phenylselanylethyl]oxolane
CID 102417969
(1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine
CID 124705823
4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 120561583

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one?
The IUPAC name of (1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one (CID 134925712) is (1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one.
What is the SMILES notation for (1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one?
The canonical SMILES for (1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one is CC(=O)[C@@H](c1ccccc1)[C@H]1CCCO1.
What is the InChIKey of (1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one?
The InChIKey is JZMYUYZYJQXQOX-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H16O2/c1-10(14)13(12-8-5-9-15-12)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-9H2,1H3/t12-,13+/m1/s1.
What are the key properties of (1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one?
(1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one is sourced from PubChem (CID 134925712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).