(5S)-5-(phenoxymethyl)oxolan-2-one

C11H12O3 — CID 101167368

IUPAC(5S)-5-(phenoxymethyl)oxolan-2-one
SMILESO=C1CC[C@@H](COc2ccccc2)O1
InChIInChI=1S/C11H12O3/c12-11-7-6-10(14-11)8-13-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeyZTSAJKVGYRTFCW-JTQLQIEISA-N
MW192.21 g/mol
LogP1.77
Rot. Bonds3

About (5S)-5-(phenoxymethyl)oxolan-2-one

(5S)-5-(phenoxymethyl)oxolan-2-one (PubChem CID 101167368) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (5S)-5-(phenoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(phenoxymethyl)oxolan-2-one
PubChem CID101167368
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(5S)-5-(phenoxymethyl)oxolan-2-one
SMILESO=C1CC[C@@H](COc2ccccc2)O1
InChIInChI=1S/C11H12O3/c12-11-7-6-10(14-11)8-13-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeyZTSAJKVGYRTFCW-JTQLQIEISA-N
XLogP1.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-one
CID 10786507
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
2-(phenoxymethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 102486276
7-(phenylmethoxymethyl)oxepan-2-one
CID 75080085
2-(phenoxymethyl)-3,4-dihydro-2H-pyran
CID 118861719
5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one
CID 157011867
cyclopropylmethoxybenzene
CID 12712156
(5S)-5-[[4-(3-ethylpentan-3-yl)-2-methylphenoxy]methyl]oxolan-2-one
CID 143106894
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
4-(phenoxymethyl)cyclohexane-1,3-dione
CID 52938211

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(phenoxymethyl)oxolan-2-one?
The IUPAC name of (5S)-5-(phenoxymethyl)oxolan-2-one (CID 101167368) is (5S)-5-(phenoxymethyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(phenoxymethyl)oxolan-2-one?
The canonical SMILES for (5S)-5-(phenoxymethyl)oxolan-2-one is O=C1CC[C@@H](COc2ccccc2)O1.
What is the InChIKey of (5S)-5-(phenoxymethyl)oxolan-2-one?
The InChIKey is ZTSAJKVGYRTFCW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12O3/c12-11-7-6-10(14-11)8-13-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1.
What are the key properties of (5S)-5-(phenoxymethyl)oxolan-2-one?
(5S)-5-(phenoxymethyl)oxolan-2-one has a molecular weight of 192.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(phenoxymethyl)oxolan-2-one is sourced from PubChem (CID 101167368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).