(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane

C89H79FO14 — CID 159485344

IUPAC(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane
SMILESCF.Cc1ccccc1Cc1ccc(O)c(Cc2c(O)c(Cc3cc(Cc4ccccc4C)ccc3O)c3c(c2O)C(=O)C[C@@H](c2ccccc2)O3)c1.O=C1C[C@@H](c2ccccc2)Oc2c(Cc3cc(Cc4ccccc4O)ccc3O)c(O)c(Cc3cc(Cc4ccccc4O)ccc3O)c(O)c21
InChIInChI=1S/C45H40O6.C43H36O8.CH3F/c1-27-10-6-8-14-32(27)20-29-16-18-38(46)34(22-29)24-36-43(49)37(25-35-23-30(17-19-39(35)47)21-33-15-9-7-11-28(33)2)45-42(44(36)50)40(48)26-41(51-45)31-12-4-3-5-13-31;44-34-12-6-4-10-28(34)18-25-14-16-36(46)30(20-25)22-32-41(49)33(23-31-21-26(15-17-37(31)47)19-29-11-5-7-13-35(29)45)43-40(42(32)50)38(48)24-39(51-43)27-8-2-1-3-9-27;1-2/h3-19,22-23,41,46-47,49-50H,20-21,24-26H2,1-2H3;1-17,20-21,39,44-47,49-50H,18-19,22-24H2;1H3/t41-;39-;/m00./s1
InChIKeyLXMWKFWZXXJVDO-VFPWGSKZSA-N
MW1391.59 g/mol
LogP17.77
Rot. Bonds18

About (2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane

(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane (PubChem CID 159485344) has the molecular formula C89H79FO14 and a molecular weight of 1391.59 g/mol. Its IUPAC name is (2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane.

Molecular Properties

Compound Name(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane
PubChem CID159485344
Molecular FormulaC89H79FO14
Molecular Weight1391.59 g/mol
Exact Mass1390.55
IUPAC Name(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane
SMILESCF.Cc1ccccc1Cc1ccc(O)c(Cc2c(O)c(Cc3cc(Cc4ccccc4C)ccc3O)c3c(c2O)C(=O)C[C@@H](c2ccccc2)O3)c1.O=C1C[C@@H](c2ccccc2)Oc2c(Cc3cc(Cc4ccccc4O)ccc3O)c(O)c(Cc3cc(Cc4ccccc4O)ccc3O)c(O)c21
InChIInChI=1S/C45H40O6.C43H36O8.CH3F/c1-27-10-6-8-14-32(27)20-29-16-18-38(46)34(22-29)24-36-43(49)37(25-35-23-30(17-19-39(35)47)21-33-15-9-7-11-28(33)2)45-42(44(36)50)40(48)26-41(51-45)31-12-4-3-5-13-31;44-34-12-6-4-10-28(34)18-25-14-16-36(46)30(20-25)22-32-41(49)33(23-31-21-26(15-17-37(31)47)19-29-11-5-7-13-35(29)45)43-40(42(32)50)38(48)24-39(51-43)27-8-2-1-3-9-27;1-2/h3-19,22-23,41,46-47,49-50H,20-21,24-26H2,1-2H3;1-17,20-21,39,44-47,49-50H,18-19,22-24H2;1H3/t41-;39-;/m00./s1
InChIKeyLXMWKFWZXXJVDO-VFPWGSKZSA-N
XLogP17.77
TPSA254.90 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001391.59
LogP ≤ 517.77
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

Analyze (2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane with MolForge

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Related Compounds

(2R)-6,8-bis[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 38360858
(2R)-5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 162922021
5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 12041830
(2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 38360850
(2S)-8-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 73352327
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 162858034
5,8-dihydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 122415336
(2S)-8-[(dimethylamino)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 3075480
8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 102160888
(2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 3075481
6-[(5-chloro-2-hydroxyphenyl)methyl]-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 71194014
8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 122415337

Frequently Asked Questions

What is the IUPAC name of (2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane?
The IUPAC name of (2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane (CID 159485344) is (2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane.
What is the SMILES notation for (2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane?
The canonical SMILES for (2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane is CF.Cc1ccccc1Cc1ccc(O)c(Cc2c(O)c(Cc3cc(Cc4ccccc4C)ccc3O)c3c(c2O)C(=O)C[C@@H](c2ccccc2)O3)c1.O=C1C[C@@H](c2ccccc2)Oc2c(Cc3cc(Cc4ccccc4O)ccc3O)c(O)c(Cc3cc(Cc4ccccc4O)ccc3O)c(O)c21.
What is the InChIKey of (2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane?
The InChIKey is LXMWKFWZXXJVDO-VFPWGSKZSA-N. The full InChI is InChI=1S/C45H40O6.C43H36O8.CH3F/c1-27-10-6-8-14-32(27)20-29-16-18-38(46)34(22-29)24-36-43(49)37(25-35-23-30(17-19-39(35)47)21-33-15-9-7-11-28(33)2)45-42(44(36)50)40(48)26-41(51-45)31-12-4-3-5-13-31;44-34-12-6-4-10-28(34)18-25-14-16-36(46)30(20-25)22-32-41(49)33(23-31-21-26(15-17-37(31)47)19-29-11-5-7-13-35(29)45)43-40(42(32)50)38(48)24-39(51-43)27-8-2-1-3-9-27;1-2/h3-19,22-23,41,46-47,49-50H,20-21,24-26H2,1-2H3;1-17,20-21,39,44-47,49-50H,18-19,22-24H2;1H3/t41-;39-;/m00./s1.
What are the key properties of (2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane?
(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane has a molecular weight of 1391.59 g/mol, XLogP of 17.77, 18 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-6,8-bis[[2-hydroxy-5-[(2-methylphenyl)methyl]phenyl]methyl]-2-phenyl-2,3-dihydrochromen-4-one;fluoromethane is sourced from PubChem (CID 159485344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).