3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol

C29H24O8 — CID 73113525

IUPAC3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol
SMILESOc1ccc(C2Oc3cc(O)c4c(c3CC2O)OC(c2ccc(O)cc2)C4c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C29H24O8/c30-17-5-1-14(2-6-17)27-23(35)12-21-24(36-27)13-22(34)26-25(16-9-19(32)11-20(33)10-16)28(37-29(21)26)15-3-7-18(31)8-4-15/h1-11,13,23,25,27-28,30-35H,12H2
InChIKeyLYHUHVLRBIYLBQ-UHFFFAOYSA-N
MW500.50 g/mol
LogP4.52
Rot. Bonds3

About 3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol

3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol (PubChem CID 73113525) has the molecular formula C29H24O8 and a molecular weight of 500.50 g/mol. Its IUPAC name is 3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol.

Molecular Properties

Compound Name3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol
PubChem CID73113525
Molecular FormulaC29H24O8
Molecular Weight500.50 g/mol
Exact Mass500.15
IUPAC Name3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol
SMILESOc1ccc(C2Oc3cc(O)c4c(c3CC2O)OC(c2ccc(O)cc2)C4c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C29H24O8/c30-17-5-1-14(2-6-17)27-23(35)12-21-24(36-27)13-22(34)26-25(16-9-19(32)11-20(33)10-16)28(37-29(21)26)15-3-7-18(31)8-4-15/h1-11,13,23,25,27-28,30-35H,12H2
InChIKeyLYHUHVLRBIYLBQ-UHFFFAOYSA-N
XLogP4.52
TPSA139.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.50
LogP ≤ 54.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3R)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 14015948
(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
CID 14015960
(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
(1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol
CID 152771879
(2R,3R)-2-phenyl-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
CID 14281803
4,15-bis(3,5-dihydroxyphenyl)-5,11,16-tris(4-hydroxyphenyl)-22-phenyl-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 162982892
(3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
CID 146637237
(3S)-2-(3,4-dihydroxyphenyl)-8-[(3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
CID 101022210
(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
CID 102509284
(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
CID 11399041
(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
CID 11250133
benzene-1,3,5-triol;(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 68742693

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol?
The IUPAC name of 3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol (CID 73113525) is 3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol.
What is the SMILES notation for 3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol?
The canonical SMILES for 3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol is Oc1ccc(C2Oc3cc(O)c4c(c3CC2O)OC(c2ccc(O)cc2)C4c2cc(O)cc(O)c2)cc1.
What is the InChIKey of 3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol?
The InChIKey is LYHUHVLRBIYLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O8/c30-17-5-1-14(2-6-17)27-23(35)12-21-24(36-27)13-22(34)26-25(16-9-19(32)11-20(33)10-16)28(37-29(21)26)15-3-7-18(31)8-4-15/h1-11,13,23,25,27-28,30-35H,12H2.
What are the key properties of 3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol?
3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol has a molecular weight of 500.50 g/mol, XLogP of 4.52, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol is sourced from PubChem (CID 73113525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).