(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

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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).