(5S)-5-(4-methoxyphenyl)oxolan-2-one

C11H12O3 — CID 12862881

IUPAC(5S)-5-(4-methoxyphenyl)oxolan-2-one
SMILESCOc1ccc([C@@H]2CCC(=O)O2)cc1
InChIInChI=1S/C11H12O3/c1-13-9-4-2-8(3-5-9)10-6-7-11(12)14-10/h2-5,10H,6-7H2,1H3/t10-/m0/s1
InChIKeyCEEZYDZJAVPUOA-JTQLQIEISA-N
MW192.21 g/mol
LogP2.07
Rot. Bonds2

About (5S)-5-(4-methoxyphenyl)oxolan-2-one

(5S)-5-(4-methoxyphenyl)oxolan-2-one (PubChem CID 12862881) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (5S)-5-(4-methoxyphenyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(4-methoxyphenyl)oxolan-2-one
PubChem CID12862881
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(5S)-5-(4-methoxyphenyl)oxolan-2-one
SMILESCOc1ccc([C@@H]2CCC(=O)O2)cc1
InChIInChI=1S/C11H12O3/c1-13-9-4-2-8(3-5-9)10-6-7-11(12)14-10/h2-5,10H,6-7H2,1H3/t10-/m0/s1
InChIKeyCEEZYDZJAVPUOA-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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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-methoxyphenyl)oxolan-2-one?
The IUPAC name of (5S)-5-(4-methoxyphenyl)oxolan-2-one (CID 12862881) is (5S)-5-(4-methoxyphenyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(4-methoxyphenyl)oxolan-2-one?
The canonical SMILES for (5S)-5-(4-methoxyphenyl)oxolan-2-one is COc1ccc([C@@H]2CCC(=O)O2)cc1.
What is the InChIKey of (5S)-5-(4-methoxyphenyl)oxolan-2-one?
The InChIKey is CEEZYDZJAVPUOA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12O3/c1-13-9-4-2-8(3-5-9)10-6-7-11(12)14-10/h2-5,10H,6-7H2,1H3/t10-/m0/s1.
What are the key properties of (5S)-5-(4-methoxyphenyl)oxolan-2-one?
(5S)-5-(4-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-(4-methoxyphenyl)oxolan-2-one is sourced from PubChem (CID 12862881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).