(4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one

C13H16O2 — CID 131860744

IUPAC(4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one
SMILESC[C@@]1(CCc2ccccc2)COC(=O)C1
InChIInChI=1S/C13H16O2/c1-13(9-12(14)15-10-13)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3/t13-/m0/s1
InChIKeyOFVQIDMRZWWHKX-ZDUSSCGKSA-N
MW204.27 g/mol
LogP2.57
Rot. Bonds3

About (4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one

(4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one (PubChem CID 131860744) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one.

Molecular Properties

Compound Name(4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one
PubChem CID131860744
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one
SMILESC[C@@]1(CCc2ccccc2)COC(=O)C1
InChIInChI=1S/C13H16O2/c1-13(9-12(14)15-10-13)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3/t13-/m0/s1
InChIKeyOFVQIDMRZWWHKX-ZDUSSCGKSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
2,6,6-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-one
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5-methyl-5-(3-phenylpropyl)-1,3-dioxane-4,6-dione
CID 118947181
3-ethyl-3-(3-phenylpropyl)oxetan-2-one
CID 155351217
(3S)-3-methyl-3-(2-phenylethyl)-2H-inden-1-one
CID 102415186
(5-methyl-2-oxo-1,3-dioxan-5-yl)methyl 3-phenylpropanoate
CID 58498505
2,5-dimethyl-2-(2-phenylethyl)-1,3-dioxane-5-carbaldehyde
CID 171591221
4-methyl-4-(2-phenylethyl)-5H-1,3-oxazole
CID 151126752
4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole
CID 10727505
3,3,4-trimethyl-1-(2-phenylethyl)-2,6,7-trioxabicyclo[2.2.2]octane
CID 11425500
5,5-dimethyl-2-(3-phenylpropyl)cyclohexane-1,3-dione
CID 134953358
3-(2-phenylethyl)oxetan-3-ol
CID 83683318

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one?
The IUPAC name of (4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one (CID 131860744) is (4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one.
What is the SMILES notation for (4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one?
The canonical SMILES for (4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one is C[C@@]1(CCc2ccccc2)COC(=O)C1.
What is the InChIKey of (4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one?
The InChIKey is OFVQIDMRZWWHKX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(9-12(14)15-10-13)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3/t13-/m0/s1.
What are the key properties of (4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one?
(4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one is sourced from PubChem (CID 131860744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).