3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

C13H14O5 — CID 14777896

IUPAC3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESO=C1CC2OC(C(O)c3ccccc3)C(O)C2O1
InChIInChI=1S/C13H14O5/c14-9-6-8-12(18-9)11(16)13(17-8)10(15)7-4-2-1-3-5-7/h1-5,8,10-13,15-16H,6H2
InChIKeyOGSSCWFZICJOMO-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.16
Rot. Bonds2

About 3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (PubChem CID 14777896) has the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.

Molecular Properties

Compound Name3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
PubChem CID14777896
Molecular FormulaC13H14O5
Molecular Weight250.25 g/mol
Exact Mass250.08
IUPAC Name3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESO=C1CC2OC(C(O)c3ccccc3)C(O)C2O1
InChIInChI=1S/C13H14O5/c14-9-6-8-12(18-9)11(16)13(17-8)10(15)7-4-2-1-3-5-7/h1-5,8,10-13,15-16H,6H2
InChIKeyOGSSCWFZICJOMO-UHFFFAOYSA-N
XLogP0.16
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(+)-Goniofufurone
CID 11096987
7-epi-Goniofufurone
CID 44576067
(+)-Crassalactone B
CID 44566459
Crassalactone C
CID 44566460
(2R,3S,3aR,6aR)-3-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 10399840
9-Deoxygoniopypyrone
CID 126233
(1R,2R,4S,5S,7S)-4-phenyl-3,6,10-trioxatricyclo[5.3.0.02,5]decan-9-one
CID 25032962
(5S)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one
CID 46837311
[(R)-[(2S,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-phenylmethyl] benzoate
CID 46837312
(2R,3S,3aR,6aR)-2-benzyl-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 46897991
(2S,3R,3aR,6aR)-2-[(R)-chloro(phenyl)methyl]-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 57384684
(2S,3R,3aR,6aR)-2-[(S)-chloro(phenyl)methyl]-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 57384685

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The IUPAC name of 3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (CID 14777896) is 3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.
What is the SMILES notation for 3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The canonical SMILES for 3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is O=C1CC2OC(C(O)c3ccccc3)C(O)C2O1.
What is the InChIKey of 3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The InChIKey is OGSSCWFZICJOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O5/c14-9-6-8-12(18-9)11(16)13(17-8)10(15)7-4-2-1-3-5-7/h1-5,8,10-13,15-16H,6H2.
What are the key properties of 3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one has a molecular weight of 250.25 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is sourced from PubChem (CID 14777896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).