5-[(3-hydroxyphenyl)methyl]oxolan-2-one

C11H12O3 — CID 3028409

IUPAC5-[(3-hydroxyphenyl)methyl]oxolan-2-one
SMILESO=C1CCC(Cc2cccc(O)c2)O1
InChIInChI=1S/C11H12O3/c12-9-3-1-2-8(6-9)7-10-4-5-11(13)14-10/h1-3,6,10,12H,4-5,7H2
InChIKeyVYWFHBSBNKNWSB-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.64
Rot. Bonds2

About 5-[(3-hydroxyphenyl)methyl]oxolan-2-one

5-[(3-hydroxyphenyl)methyl]oxolan-2-one (PubChem CID 3028409) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5-[(3-hydroxyphenyl)methyl]oxolan-2-one.

Molecular Properties

Compound Name5-[(3-hydroxyphenyl)methyl]oxolan-2-one
PubChem CID3028409
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name5-[(3-hydroxyphenyl)methyl]oxolan-2-one
SMILESO=C1CCC(Cc2cccc(O)c2)O1
InChIInChI=1S/C11H12O3/c12-9-3-1-2-8(6-9)7-10-4-5-11(13)14-10/h1-3,6,10,12H,4-5,7H2
InChIKeyVYWFHBSBNKNWSB-UHFFFAOYSA-N
XLogP1.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxyphenyl)methyl]oxolan-2-one?
The IUPAC name of 5-[(3-hydroxyphenyl)methyl]oxolan-2-one (CID 3028409) is 5-[(3-hydroxyphenyl)methyl]oxolan-2-one.
What is the SMILES notation for 5-[(3-hydroxyphenyl)methyl]oxolan-2-one?
The canonical SMILES for 5-[(3-hydroxyphenyl)methyl]oxolan-2-one is O=C1CCC(Cc2cccc(O)c2)O1.
What is the InChIKey of 5-[(3-hydroxyphenyl)methyl]oxolan-2-one?
The InChIKey is VYWFHBSBNKNWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-9-3-1-2-8(6-9)7-10-4-5-11(13)14-10/h1-3,6,10,12H,4-5,7H2.
What are the key properties of 5-[(3-hydroxyphenyl)methyl]oxolan-2-one?
5-[(3-hydroxyphenyl)methyl]oxolan-2-one has a molecular weight of 192.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxyphenyl)methyl]oxolan-2-one is sourced from PubChem (CID 3028409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).