(5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one

C13H16O3 — CID 155935569

IUPAC(5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one
SMILESCOc1ccccc1[C@@H]1CC(C)(C)C(=O)O1
InChIInChI=1S/C13H16O3/c1-13(2)8-11(16-12(13)14)9-6-4-5-7-10(9)15-3/h4-7,11H,8H2,1-3H3/t11-/m0/s1
InChIKeyCANMLGNBBLPHRB-NSHDSACASA-N
MW220.27 g/mol
LogP2.71
Rot. Bonds2

About (5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one

(5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one (PubChem CID 155935569) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one
PubChem CID155935569
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one
SMILESCOc1ccccc1[C@@H]1CC(C)(C)C(=O)O1
InChIInChI=1S/C13H16O3/c1-13(2)8-11(16-12(13)14)9-6-4-5-7-10(9)15-3/h4-7,11H,8H2,1-3H3/t11-/m0/s1
InChIKeyCANMLGNBBLPHRB-NSHDSACASA-N
XLogP2.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-(2-methoxyphenyl)oxolan-2-one
CID 10750262
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one
CID 163229025
2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
CID 175916705
8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 175310251
3-cyclopropyl-5-(2-methoxyphenyl)-1,3-oxazolidin-2-one
CID 82082707
(1S,4R,6R)-4-(2-methoxyphenyl)-3,7-dioxabicyclo[4.1.0]heptane
CID 100945529
1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene
CID 134968527
(5R)-5-(2-methoxyphenyl)imidazolidine-2,4-dione
CID 94255380
(4R)-4-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186312
2-(2-methoxyphenyl)-5-methyl-5-phenylmorpholine
CID 105058747
2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712012

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one?
The IUPAC name of (5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one (CID 155935569) is (5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one.
What is the SMILES notation for (5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one?
The canonical SMILES for (5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one is COc1ccccc1[C@@H]1CC(C)(C)C(=O)O1.
What is the InChIKey of (5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one?
The InChIKey is CANMLGNBBLPHRB-NSHDSACASA-N. The full InChI is InChI=1S/C13H16O3/c1-13(2)8-11(16-12(13)14)9-6-4-5-7-10(9)15-3/h4-7,11H,8H2,1-3H3/t11-/m0/s1.
What are the key properties of (5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one?
(5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one has a molecular weight of 220.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one is sourced from PubChem (CID 155935569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).