(1E,3R)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol

C22H18O4 — CID 143780159

IUPAC(1E,3R)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
SMILESOc1ccc(/C=C2\C[C@H](c3ccc(O)cc3)c3c(O)cc(O)cc32)cc1
InChIInChI=1S/C22H18O4/c23-16-5-1-13(2-6-16)9-15-10-19(14-3-7-17(24)8-4-14)22-20(15)11-18(25)12-21(22)26/h1-9,11-12,19,23-26H,10H2/b15-9+/t19-/m1/s1
InChIKeyNDTAUCOGCVQFQN-RNYZQXAPSA-N
MW346.38 g/mol
LogP4.59
Rot. Bonds2

About (1E,3R)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol

(1E,3R)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol (PubChem CID 143780159) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is (1E,3R)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol.

Molecular Properties

Compound Name(1E,3R)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
PubChem CID143780159
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name(1E,3R)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
SMILESOc1ccc(/C=C2\C[C@H](c3ccc(O)cc3)c3c(O)cc(O)cc32)cc1
InChIInChI=1S/C22H18O4/c23-16-5-1-13(2-6-16)9-15-10-19(14-3-7-17(24)8-4-14)22-20(15)11-18(25)12-21(22)26/h1-9,11-12,19,23-26H,10H2/b15-9+/t19-/m1/s1
InChIKeyNDTAUCOGCVQFQN-RNYZQXAPSA-N
XLogP4.59
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

10-(4-hydroxyphenyl)-3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-9,10-dihydrophenanthrene-1,5,7-triol
CID 71498515
(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
(2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one
CID 177391216
(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
(3E)-2-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-1,2-dihydroindene-4,6-diol
CID 68537642
(2R)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydroinden-1-one
CID 143780203
(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
4-(2-methylidenecyclopropyl)phenol
CID 163485909
9-[(4-hydroxyphenyl)methylidene]fluorene-2,3,6,7-tetrol
CID 21255409
(3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one
CID 15484393

Frequently Asked Questions

What is the IUPAC name of (1E,3R)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol?
The IUPAC name of (1E,3R)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol (CID 143780159) is (1E,3R)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol.
What is the SMILES notation for (1E,3R)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol?
The canonical SMILES for (1E,3R)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol is Oc1ccc(/C=C2\C[C@H](c3ccc(O)cc3)c3c(O)cc(O)cc32)cc1.
What is the InChIKey of (1E,3R)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol?
The InChIKey is NDTAUCOGCVQFQN-RNYZQXAPSA-N. The full InChI is InChI=1S/C22H18O4/c23-16-5-1-13(2-6-16)9-15-10-19(14-3-7-17(24)8-4-14)22-20(15)11-18(25)12-21(22)26/h1-9,11-12,19,23-26H,10H2/b15-9+/t19-/m1/s1.
What are the key properties of (1E,3R)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol?
(1E,3R)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol has a molecular weight of 346.38 g/mol, XLogP of 4.59, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3R)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol is sourced from PubChem (CID 143780159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).