(2R)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one

C21H16O6 — CID 143780203

IUPAC(2R)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one
SMILESO=C1c2cc(O)cc(O)c2C(c2ccc(O)cc2)[C@@H]1c1cc(O)cc(O)c1
InChIInChI=1S/C21H16O6/c22-12-3-1-10(2-4-12)18-19(11-5-13(23)7-14(24)6-11)21(27)16-8-15(25)9-17(26)20(16)18/h1-9,18-19,22-26H/t18?,19-/m0/s1
InChIKeyRXCCNNFHGNTSJG-GGYWPGCISA-N
MW364.35 g/mol
LogP3.33
Rot. Bonds2

About (2R)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one

(2R)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one (PubChem CID 143780203) has the molecular formula C21H16O6 and a molecular weight of 364.35 g/mol. Its IUPAC name is (2R)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2R)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one
PubChem CID143780203
Molecular FormulaC21H16O6
Molecular Weight364.35 g/mol
Exact Mass364.09
IUPAC Name(2R)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one
SMILESO=C1c2cc(O)cc(O)c2C(c2ccc(O)cc2)[C@@H]1c1cc(O)cc(O)c1
InChIInChI=1S/C21H16O6/c22-12-3-1-10(2-4-12)18-19(11-5-13(23)7-14(24)6-11)21(27)16-8-15(25)9-17(26)20(16)18/h1-9,18-19,22-26H/t18?,19-/m0/s1
InChIKeyRXCCNNFHGNTSJG-GGYWPGCISA-N
XLogP3.33
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 53.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one
CID 59502117
(2R,3R)-3-(3,5-dihydroxyphenyl)-4,6-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydroinden-1-one
CID 56640055
2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one;phosphoric acid
CID 175355293
(2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-fluorophenyl)-4,6-dihydroxy-2,3-dihydroinden-1-one
CID 122190156
(1E,2R,3R)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
CID 10095475
(1Z,2S,3S)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
CID 95790137
(1E,3S)-3-(3,5-dihydroxyphenyl)-1-[(2E,3Z)-2-ethylidene-5-hydroxyhexa-3,5-dienylidene]-2-(4-hydroxyphenyl)-2,3-dihydroindene-4,6-diol
CID 143780228
(4bR,5R,9bR,10R)-5,10-bis(4-hydroxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene-2,4,7,9-tetrol
CID 155549180
(3R,4S)-3-[(3S,4S)-5,7-dihydroxy-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydrochromen-3-yl]-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
CID 162994869
(2R,3R)-2-(3,5-dihydroxyphenyl)-1-[[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-2,3-dihydro-1-benzofuran-5-yl]methylidene]-3-(4-hydroxyphenyl)-2,3-dihydroindene-4,6-diol
CID 163064634
(11R,22R)-4,15-bis(3,5-dihydroxyphenyl)-5,11,16,22-tetrakis(4-hydroxyphenyl)-6,17-dioxahexacyclo[10.10.0.02,10.03,7.013,21.014,18]docosa-2(10),3(7),8,13(21),14(18),19-hexaene-9,20-diol
CID 51136446
(2R,3S)-2,5,7-trihydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 11369709

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one?
The IUPAC name of (2R)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one (CID 143780203) is (2R)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for (2R)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for (2R)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one is O=C1c2cc(O)cc(O)c2C(c2ccc(O)cc2)[C@@H]1c1cc(O)cc(O)c1.
What is the InChIKey of (2R)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one?
The InChIKey is RXCCNNFHGNTSJG-GGYWPGCISA-N. The full InChI is InChI=1S/C21H16O6/c22-12-3-1-10(2-4-12)18-19(11-5-13(23)7-14(24)6-11)21(27)16-8-15(25)9-17(26)20(16)18/h1-9,18-19,22-26H/t18?,19-/m0/s1.
What are the key properties of (2R)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one?
(2R)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one has a molecular weight of 364.35 g/mol, XLogP of 3.33, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 143780203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).