5-[(3,5-dihydroxyphenyl)methyl]oxolan-2-one

C11H12O4 — CID 52920453

IUPAC5-[(3,5-dihydroxyphenyl)methyl]oxolan-2-one
SMILESO=C1CCC(Cc2cc(O)cc(O)c2)O1
InChIInChI=1S/C11H12O4/c12-8-3-7(4-9(13)6-8)5-10-1-2-11(14)15-10/h3-4,6,10,12-13H,1-2,5H2
InChIKeyWAKFBGOXOFLZLZ-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.35
Rot. Bonds2

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

5-[(3,5-dihydroxyphenyl)methyl]oxolan-2-one (PubChem CID 52920453) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 5-[(3,5-dihydroxyphenyl)methyl]oxolan-2-one.

Molecular Properties

Compound Name5-[(3,5-dihydroxyphenyl)methyl]oxolan-2-one
PubChem CID52920453
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name5-[(3,5-dihydroxyphenyl)methyl]oxolan-2-one
SMILESO=C1CCC(Cc2cc(O)cc(O)c2)O1
InChIInChI=1S/C11H12O4/c12-8-3-7(4-9(13)6-8)5-10-1-2-11(14)15-10/h3-4,6,10,12-13H,1-2,5H2
InChIKeyWAKFBGOXOFLZLZ-UHFFFAOYSA-N
XLogP1.35
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Enterolactone
CID 114739
2,3-Bis(3'-hydroxybenzyl)butyrolactone
CID 123917
Benzoic acid, 3,5-dihydroxy-, ethyl ester
CID 20098
5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One
CID 152432
(3R,4R)-3,4-bis((3-hydroxyphenyl)methyl)oxolan-2-one
CID 10685477
Methyl 3,5-dihydroxyphenylacetate
CID 579787
5-[(3-Hydroxyphenyl)methyl]oxolan-2-one
CID 3028409
(-)-5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone
CID 45093080
5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone
CID 44389277
5-(Hydroxyphenyl)-gamma-valerolactone-O-sulphate
CID 124202065
3-(2,4-Dihydroxyphenyl)-propionic acid isopropylester
CID 16755666
Benzenepropanoic acid, 2,4-dihydroxy-, ethyl ester
CID 44423246

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dihydroxyphenyl)methyl]oxolan-2-one?
The IUPAC name of 5-[(3,5-dihydroxyphenyl)methyl]oxolan-2-one (CID 52920453) is 5-[(3,5-dihydroxyphenyl)methyl]oxolan-2-one.
What is the SMILES notation for 5-[(3,5-dihydroxyphenyl)methyl]oxolan-2-one?
The canonical SMILES for 5-[(3,5-dihydroxyphenyl)methyl]oxolan-2-one is O=C1CCC(Cc2cc(O)cc(O)c2)O1.
What is the InChIKey of 5-[(3,5-dihydroxyphenyl)methyl]oxolan-2-one?
The InChIKey is WAKFBGOXOFLZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c12-8-3-7(4-9(13)6-8)5-10-1-2-11(14)15-10/h3-4,6,10,12-13H,1-2,5H2.
What are the key properties of 5-[(3,5-dihydroxyphenyl)methyl]oxolan-2-one?
5-[(3,5-dihydroxyphenyl)methyl]oxolan-2-one has a molecular weight of 208.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dihydroxyphenyl)methyl]oxolan-2-one is sourced from PubChem (CID 52920453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).