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

C11H12O3 — CID 10750262

IUPAC(5S)-5-(2-methoxyphenyl)oxolan-2-one
SMILESCOc1ccccc1[C@@H]1CCC(=O)O1
InChIInChI=1S/C11H12O3/c1-13-9-5-3-2-4-8(9)10-6-7-11(12)14-10/h2-5,10H,6-7H2,1H3/t10-/m0/s1
InChIKeyWXZNLPPTCNSEBD-JTQLQIEISA-N
MW192.21 g/mol
LogP2.07
Rot. Bonds2

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

(5S)-5-(2-methoxyphenyl)oxolan-2-one (PubChem CID 10750262) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (5S)-5-(2-methoxyphenyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(2-methoxyphenyl)oxolan-2-one
PubChem CID10750262
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(5S)-5-(2-methoxyphenyl)oxolan-2-one
SMILESCOc1ccccc1[C@@H]1CCC(=O)O1
InChIInChI=1S/C11H12O3/c1-13-9-5-3-2-4-8(9)10-6-7-11(12)14-10/h2-5,10H,6-7H2,1H3/t10-/m0/s1
InChIKeyWXZNLPPTCNSEBD-JTQLQIEISA-N
XLogP2.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one
CID 163229025
5-(4-methoxynaphthalen-1-yl)oxolan-2-one
CID 103439901
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
(5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one
CID 155935569
3-cyclopropyl-5-(2-methoxyphenyl)-1,3-oxazolidin-2-one
CID 82082707
8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 175310251
(5S)-5-(4-methoxyphenyl)oxolan-2-one
CID 12862881
(4R)-4-(2-methoxyphenyl)oxan-2-one
CID 102162609
2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
CID 175916705
(4R)-4-(2-methoxyphenyl)oxolan-2-one
CID 125041277
2-(2-methoxyphenyl)-4-methyl-1,3-oxathiolan-5-one
CID 139899567
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-methoxyphenyl)oxolan-2-one?
The IUPAC name of (5S)-5-(2-methoxyphenyl)oxolan-2-one (CID 10750262) is (5S)-5-(2-methoxyphenyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(2-methoxyphenyl)oxolan-2-one?
The canonical SMILES for (5S)-5-(2-methoxyphenyl)oxolan-2-one is COc1ccccc1[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-(2-methoxyphenyl)oxolan-2-one?
The InChIKey is WXZNLPPTCNSEBD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12O3/c1-13-9-5-3-2-4-8(9)10-6-7-11(12)14-10/h2-5,10H,6-7H2,1H3/t10-/m0/s1.
What are the key properties of (5S)-5-(2-methoxyphenyl)oxolan-2-one?
(5S)-5-(2-methoxyphenyl)oxolan-2-one has a molecular weight of 192.21 g/mol, XLogP of 2.07, 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)oxolan-2-one is sourced from PubChem (CID 10750262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).