5-methoxy-4-phenyloxolan-2-one

C11H12O3 — CID 14907472

IUPAC5-methoxy-4-phenyloxolan-2-one
SMILESCOC1OC(=O)CC1c1ccccc1
InChIInChI=1S/C11H12O3/c1-13-11-9(7-10(12)14-11)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
InChIKeyZRHJFJHPKXUCOV-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.69
Rot. Bonds2

About 5-methoxy-4-phenyloxolan-2-one

5-methoxy-4-phenyloxolan-2-one (PubChem CID 14907472) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5-methoxy-4-phenyloxolan-2-one.

Molecular Properties

Compound Name5-methoxy-4-phenyloxolan-2-one
PubChem CID14907472
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name5-methoxy-4-phenyloxolan-2-one
SMILESCOC1OC(=O)CC1c1ccccc1
InChIInChI=1S/C11H12O3/c1-13-11-9(7-10(12)14-11)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
InChIKeyZRHJFJHPKXUCOV-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 5-methoxy-4-phenyloxolan-2-one?
The IUPAC name of 5-methoxy-4-phenyloxolan-2-one (CID 14907472) is 5-methoxy-4-phenyloxolan-2-one.
What is the SMILES notation for 5-methoxy-4-phenyloxolan-2-one?
The canonical SMILES for 5-methoxy-4-phenyloxolan-2-one is COC1OC(=O)CC1c1ccccc1.
What is the InChIKey of 5-methoxy-4-phenyloxolan-2-one?
The InChIKey is ZRHJFJHPKXUCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-11-9(7-10(12)14-11)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3.
What are the key properties of 5-methoxy-4-phenyloxolan-2-one?
5-methoxy-4-phenyloxolan-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 5-methoxy-4-phenyloxolan-2-one is sourced from PubChem (CID 14907472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).