(5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one

C17H14O6 — CID 122204306

IUPAC(5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one
SMILESO=C1O[C@](O)(Cc2ccc(O)cc2)C(c2ccc(O)cc2)=C1O
InChIInChI=1S/C17H14O6/c18-12-5-1-10(2-6-12)9-17(22)14(15(20)16(21)23-17)11-3-7-13(19)8-4-11/h1-8,18-20,22H,9H2/t17-/m1/s1
InChIKeyUJWXDHBTYAGSML-QGZVFWFLSA-N
MW314.29 g/mol
LogP1.86
Rot. Bonds3

About (5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one

(5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one (PubChem CID 122204306) has the molecular formula C17H14O6 and a molecular weight of 314.29 g/mol. Its IUPAC name is (5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one.

Molecular Properties

Compound Name(5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one
PubChem CID122204306
Molecular FormulaC17H14O6
Molecular Weight314.29 g/mol
Exact Mass314.08
IUPAC Name(5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one
SMILESO=C1O[C@](O)(Cc2ccc(O)cc2)C(c2ccc(O)cc2)=C1O
InChIInChI=1S/C17H14O6/c18-12-5-1-10(2-6-12)9-17(22)14(15(20)16(21)23-17)11-3-7-13(19)8-4-11/h1-8,18-20,22H,9H2/t17-/m1/s1
InChIKeyUJWXDHBTYAGSML-QGZVFWFLSA-N
XLogP1.86
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bisnoryangonin
CID 54680478
Butyrolactone Ii
CID 10405953
2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid
CID 636708
(E)-Benzyl 3-(4-hydroxyphenyl)acrylate
CID 10083644
Butyrolactone I
CID 51340302
Aspulvinone E
CID 54675753
(E)-4-Hydroxyphenethyl 3-(4'-Hydroxyphenyl)Acrylate
CID 16119626
4'-O-Demethylversicolactone D
CID 123740
Methyl-4-hydroxy-2-(4-hydroxybenzyl)-3-(4-hydroxyphenyl)-5-oxo-2,5-dihydrofuran-2-carboxylate
CID 16745402
(5Z)-4-Hydroxy-3-(4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)-5-((4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)methylene)-2(5H)-furanone
CID 54675755
Eutypoid B
CID 50993749
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-phenylethyl ester, (2E)-
CID 14389411

Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one?
The IUPAC name of (5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one (CID 122204306) is (5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one.
What is the SMILES notation for (5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one?
The canonical SMILES for (5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one is O=C1O[C@](O)(Cc2ccc(O)cc2)C(c2ccc(O)cc2)=C1O.
What is the InChIKey of (5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one?
The InChIKey is UJWXDHBTYAGSML-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14O6/c18-12-5-1-10(2-6-12)9-17(22)14(15(20)16(21)23-17)11-3-7-13(19)8-4-11/h1-8,18-20,22H,9H2/t17-/m1/s1.
What are the key properties of (5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one?
(5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one has a molecular weight of 314.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one is sourced from PubChem (CID 122204306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).