4-[(1R)-4,6-dihydroxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dihydroxybenzoic acid

C15H10O8 — CID 162964656

IUPAC4-[(1R)-4,6-dihydroxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dihydroxybenzoic acid
SMILESO=C(O)c1cc(O)c([C@@H]2OC(=O)c3c(O)cc(O)cc32)c(O)c1
InChIInChI=1S/C15H10O8/c16-6-3-7-11(10(19)4-6)15(22)23-13(7)12-8(17)1-5(14(20)21)2-9(12)18/h1-4,13,16-19H,(H,20,21)/t13-/m1/s1
InChIKeyMYNCQCHJQQBWNF-CYBMUJFWSA-N
MW318.24 g/mol
LogP1.47
Rot. Bonds2

About 4-[(1R)-4,6-dihydroxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dihydroxybenzoic acid

4-[(1R)-4,6-dihydroxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dihydroxybenzoic acid (PubChem CID 162964656) has the molecular formula C15H10O8 and a molecular weight of 318.24 g/mol. Its IUPAC name is 4-[(1R)-4,6-dihydroxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dihydroxybenzoic acid.

Molecular Properties

Compound Name4-[(1R)-4,6-dihydroxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dihydroxybenzoic acid
PubChem CID162964656
Molecular FormulaC15H10O8
Molecular Weight318.24 g/mol
Exact Mass318.04
IUPAC Name4-[(1R)-4,6-dihydroxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dihydroxybenzoic acid
SMILESO=C(O)c1cc(O)c([C@@H]2OC(=O)c3c(O)cc(O)cc32)c(O)c1
InChIInChI=1S/C15H10O8/c16-6-3-7-11(10(19)4-6)15(22)23-13(7)12-8(17)1-5(14(20)21)2-9(12)18/h1-4,13,16-19H,(H,20,21)/t13-/m1/s1
InChIKeyMYNCQCHJQQBWNF-CYBMUJFWSA-N
XLogP1.47
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 51.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-3-(2,6-dihydroxyphenyl)-7-hydroxy-5-methyl-3H-2-benzofuran-1-one
CID 162869427
4-chloro-6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 85100035
3,5-dihydroxy-4-phenylbenzoic acid
CID 45116831
3,5-dihydroxybenzoic acid
CID 66745884
3,4,5-trihydroxybenzoic acid
CID 370
(3R,4S)-3,4,6,8-tetrahydroxy-3-methyl-4H-isochromen-1-one
CID 162878849
4-hydroxy-3-[2-hydroxy-5-[(2S,3S)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenyl]benzoic acid
CID 162983898
CID 173368262
CID 173368262
benzene-1,3,5-tricarboxylic acid;3,4,5-trihydroxybenzoic acid
CID 174934845
silver;3,4,5-trihydroxybenzoic acid
CID 87285421
silane;3,4,5-trihydroxybenzoic acid
CID 174840630
(E)-3-[(3R)-6,8-dihydroxy-1-oxo-3,4-dihydroisochromen-3-yl]prop-2-enoic acid
CID 170990380

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-4,6-dihydroxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dihydroxybenzoic acid?
The IUPAC name of 4-[(1R)-4,6-dihydroxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dihydroxybenzoic acid (CID 162964656) is 4-[(1R)-4,6-dihydroxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dihydroxybenzoic acid.
What is the SMILES notation for 4-[(1R)-4,6-dihydroxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dihydroxybenzoic acid?
The canonical SMILES for 4-[(1R)-4,6-dihydroxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dihydroxybenzoic acid is O=C(O)c1cc(O)c([C@@H]2OC(=O)c3c(O)cc(O)cc32)c(O)c1.
What is the InChIKey of 4-[(1R)-4,6-dihydroxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dihydroxybenzoic acid?
The InChIKey is MYNCQCHJQQBWNF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H10O8/c16-6-3-7-11(10(19)4-6)15(22)23-13(7)12-8(17)1-5(14(20)21)2-9(12)18/h1-4,13,16-19H,(H,20,21)/t13-/m1/s1.
What are the key properties of 4-[(1R)-4,6-dihydroxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dihydroxybenzoic acid?
4-[(1R)-4,6-dihydroxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dihydroxybenzoic acid has a molecular weight of 318.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-4,6-dihydroxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dihydroxybenzoic acid is sourced from PubChem (CID 162964656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).