7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C40H40O10 — CID 162862030

IUPAC7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESCC1(C)OC(C)(C)C(Cc2c(O)ccc3c2OC(c2ccc(O)cc2)CC3=O)OC1Cc1c(O)ccc2c1OC(c1ccc(O)cc1)CC2=O
InChIInChI=1S/C40H40O10/c1-39(2)35(17-27-29(43)15-13-25-31(45)19-33(47-37(25)27)21-5-9-23(41)10-6-21)49-36(40(3,4)50-39)18-28-30(44)16-14-26-32(46)20-34(48-38(26)28)22-7-11-24(42)12-8-22/h5-16,33-36,41-44H,17-20H2,1-4H3
InChIKeyIFLNZIROEAZMOJ-UHFFFAOYSA-N
MW680.75 g/mol
LogP7.05
Rot. Bonds6

About 7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 162862030) has the molecular formula C40H40O10 and a molecular weight of 680.75 g/mol. Its IUPAC name is 7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID162862030
Molecular FormulaC40H40O10
Molecular Weight680.75 g/mol
Exact Mass680.26
IUPAC Name7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESCC1(C)OC(C)(C)C(Cc2c(O)ccc3c2OC(c2ccc(O)cc2)CC3=O)OC1Cc1c(O)ccc2c1OC(c1ccc(O)cc1)CC2=O
InChIInChI=1S/C40H40O10/c1-39(2)35(17-27-29(43)15-13-25-31(45)19-33(47-37(25)27)21-5-9-23(41)10-6-21)49-36(40(3,4)50-39)18-28-30(44)16-14-26-32(46)20-34(48-38(26)28)22-7-11-24(42)12-8-22/h5-16,33-36,41-44H,17-20H2,1-4H3
InChIKeyIFLNZIROEAZMOJ-UHFFFAOYSA-N
XLogP7.05
TPSA151.98 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.75
LogP ≤ 57.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one with MolForge

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Related Compounds

7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 42607833
(2S)-7-hydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 132915901
8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 102160888
2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
CID 71601900
(2S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 162935204
2-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 10291003
2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 24829257
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane
CID 66777697
4-(4-hydroxyphenyl)-10,10,16,16-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),8(13),11,17-pentaen-6-one
CID 162923087
(2S)-7-hydroxy-2-[4-hydroxy-3-[(E)-pent-3-en-2-yl]phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 21147598
(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 77105169
8-[(E)-3,7-dimethyloct-2-enyl]-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 163909186

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (CID 162862030) is 7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one is CC1(C)OC(C)(C)C(Cc2c(O)ccc3c2OC(c2ccc(O)cc2)CC3=O)OC1Cc1c(O)ccc2c1OC(c1ccc(O)cc1)CC2=O.
What is the InChIKey of 7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is IFLNZIROEAZMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40O10/c1-39(2)35(17-27-29(43)15-13-25-31(45)19-33(47-37(25)27)21-5-9-23(41)10-6-21)49-36(40(3,4)50-39)18-28-30(44)16-14-26-32(46)20-34(48-38(26)28)22-7-11-24(42)12-8-22/h5-16,33-36,41-44H,17-20H2,1-4H3.
What are the key properties of 7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 680.75 g/mol, XLogP of 7.05, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 162862030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).