3-[(3,5-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one

C17H14O5 — CID 102484296

IUPAC3-[(3,5-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one
SMILESO=C1OCC(Cc2cc(O)cc(O)c2)=C1c1ccc(O)cc1
InChIInChI=1S/C17H14O5/c18-13-3-1-11(2-4-13)16-12(9-22-17(16)21)5-10-6-14(19)8-15(20)7-10/h1-4,6-8,18-20H,5,9H2
InChIKeyHPXFTVDTYIVKGO-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.36
Rot. Bonds3

About 3-[(3,5-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one

3-[(3,5-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one (PubChem CID 102484296) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 3-[(3,5-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-[(3,5-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one
PubChem CID102484296
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name3-[(3,5-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one
SMILESO=C1OCC(Cc2cc(O)cc(O)c2)=C1c1ccc(O)cc1
InChIInChI=1S/C17H14O5/c18-13-3-1-11(2-4-13)16-12(9-22-17(16)21)5-10-6-14(19)8-15(20)7-10/h1-4,6-8,18-20H,5,9H2
InChIKeyHPXFTVDTYIVKGO-UHFFFAOYSA-N
XLogP2.36
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-4-phenyl-2H-furan-5-one
CID 11593998
4-(4-methylphenyl)-3-prop-2-enyl-2H-furan-5-one
CID 102085861
3-benzyl-4-hydroxy-2H-furan-5-one
CID 15082540
4-hydroxy-3-(4-hydroxyphenyl)-2H-furan-5-one
CID 44562547
3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one
CID 67894059
5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol
CID 19379531
3-benzyl-2-hydroxy-4-(4-hydroxyphenyl)-2H-furan-5-one
CID 11507450
2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-hydroxybenzoate
CID 71770896
3-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-(4-hydroxyphenyl)furan-2,5-dione
CID 46930026
benzene;benzene-1,3-diol;3H-2-benzofuran-1-one
CID 70600713
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488
2-(4-hydroxyphenyl)-3H-4,1-benzoxazepin-5-one
CID 135777534

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one?
The IUPAC name of 3-[(3,5-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one (CID 102484296) is 3-[(3,5-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one.
What is the SMILES notation for 3-[(3,5-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one?
The canonical SMILES for 3-[(3,5-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one is O=C1OCC(Cc2cc(O)cc(O)c2)=C1c1ccc(O)cc1.
What is the InChIKey of 3-[(3,5-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one?
The InChIKey is HPXFTVDTYIVKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c18-13-3-1-11(2-4-13)16-12(9-22-17(16)21)5-10-6-14(19)8-15(20)7-10/h1-4,6-8,18-20H,5,9H2.
What are the key properties of 3-[(3,5-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one?
3-[(3,5-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one has a molecular weight of 298.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one is sourced from PubChem (CID 102484296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).