3-(3-methylphenoxy)oxolan-2-one

C11H12O3 — CID 71360233

IUPAC3-(3-methylphenoxy)oxolan-2-one
SMILESCc1cccc(OC2CCOC2=O)c1
InChIInChI=1S/C11H12O3/c1-8-3-2-4-9(7-8)14-10-5-6-13-11(10)12/h2-4,7,10H,5-6H2,1H3
InChIKeyYVWHQNOJMCYRHA-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.69
Rot. Bonds2

About 3-(3-methylphenoxy)oxolan-2-one

3-(3-methylphenoxy)oxolan-2-one (PubChem CID 71360233) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-(3-methylphenoxy)oxolan-2-one.

Molecular Properties

Compound Name3-(3-methylphenoxy)oxolan-2-one
PubChem CID71360233
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-(3-methylphenoxy)oxolan-2-one
SMILESCc1cccc(OC2CCOC2=O)c1
InChIInChI=1S/C11H12O3/c1-8-3-2-4-9(7-8)14-10-5-6-13-11(10)12/h2-4,7,10H,5-6H2,1H3
InChIKeyYVWHQNOJMCYRHA-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)oxolan-2-one?
The IUPAC name of 3-(3-methylphenoxy)oxolan-2-one (CID 71360233) is 3-(3-methylphenoxy)oxolan-2-one.
What is the SMILES notation for 3-(3-methylphenoxy)oxolan-2-one?
The canonical SMILES for 3-(3-methylphenoxy)oxolan-2-one is Cc1cccc(OC2CCOC2=O)c1.
What is the InChIKey of 3-(3-methylphenoxy)oxolan-2-one?
The InChIKey is YVWHQNOJMCYRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8-3-2-4-9(7-8)14-10-5-6-13-11(10)12/h2-4,7,10H,5-6H2,1H3.
What are the key properties of 3-(3-methylphenoxy)oxolan-2-one?
3-(3-methylphenoxy)oxolan-2-one has a molecular weight of 192.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)oxolan-2-one is sourced from PubChem (CID 71360233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).