2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol

C50H72O10 — CID 11984539

IUPAC2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
SMILESCOc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC.Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIInChI=1S/C29H50O2.C21H22O8/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29;1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h20-22,30H,9-19H2,1-8H3;7-10H,1-6H3/t21-,22-,29-;/m1./s1
InChIKeyKDJVFEUMLQYOMJ-WTCAIEHQSA-N
MW833.12 g/mol
LogP12.35
Rot. Bonds19

About 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol

2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol (PubChem CID 11984539) has the molecular formula C50H72O10 and a molecular weight of 833.12 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
PubChem CID11984539
Molecular FormulaC50H72O10
Molecular Weight833.12 g/mol
Exact Mass832.51
IUPAC Name2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
SMILESCOc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC.Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIInChI=1S/C29H50O2.C21H22O8/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29;1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h20-22,30H,9-19H2,1-8H3;7-10H,1-6H3/t21-,22-,29-;/m1./s1
InChIKeyKDJVFEUMLQYOMJ-WTCAIEHQSA-N
XLogP12.35
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.12
LogP ≤ 512.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol with MolForge

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Related Compounds

calcium;hydride;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 173034485
sulfuric acid;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 175105897
(2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene
CID 146823201
2,5,7,8-tetramethyl-2-(5,10,14-trimethylpentadecyl)-3,4-dihydrochromen-6-ol
CID 123549807
(E)-but-2-enedioic acid;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 174773601
decanedioic acid;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 66664845
dodecanedioic acid;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 175067770
3-oxobutanoic acid;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 175492482
2-(4,8-dimethyldodecyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 20758468
8-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
CID 163059713
2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol
CID 58280984
2-ethyl-4-hydroxybenzoic acid;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 174473350

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol (CID 11984539) is 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol is COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC.Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol?
The InChIKey is KDJVFEUMLQYOMJ-WTCAIEHQSA-N. The full InChI is InChI=1S/C29H50O2.C21H22O8/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29;1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h20-22,30H,9-19H2,1-8H3;7-10H,1-6H3/t21-,22-,29-;/m1./s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol?
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol has a molecular weight of 833.12 g/mol, XLogP of 12.35, 19 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 11984539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).