5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one

C22H26O9 — CID 14332451

IUPAC5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1cc(C2CC(=O)c3c(cc(OC)c(OC)c3OC)O2)c(OC)c(OC)c1OC
InChIInChI=1S/C22H26O9/c1-24-15-8-11(18(26-3)22(30-7)20(15)28-5)13-9-12(23)17-14(31-13)10-16(25-2)19(27-4)21(17)29-6/h8,10,13H,9H2,1-7H3
InChIKeyIRGHIHOWMUMHJU-UHFFFAOYSA-N
MW434.44 g/mol
LogP3.45
Rot. Bonds8

About 5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one

5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 14332451) has the molecular formula C22H26O9 and a molecular weight of 434.44 g/mol. Its IUPAC name is 5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID14332451
Molecular FormulaC22H26O9
Molecular Weight434.44 g/mol
Exact Mass434.16
IUPAC Name5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1cc(C2CC(=O)c3c(cc(OC)c(OC)c3OC)O2)c(OC)c(OC)c1OC
InChIInChI=1S/C22H26O9/c1-24-15-8-11(18(26-3)22(30-7)20(15)28-5)13-9-12(23)17-14(31-13)10-16(25-2)19(27-4)21(17)29-6/h8,10,13H,9H2,1-7H3
InChIKeyIRGHIHOWMUMHJU-UHFFFAOYSA-N
XLogP3.45
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one
CID 162961417
2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one
CID 162898919
2-[4-fluoro-2-(piperazine-1-carbonyl)phenyl]-5,6,7-trimethoxy-2,3-dihydrochromen-4-one
CID 170605221
2-(2,3-dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 85087212
(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 11078443
N-(2-bromophenyl)-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide
CID 155815499
3-bromo-N-[3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]benzamide
CID 155812717
3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one
CID 10691352
(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 688727
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788463
2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788462
2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dimethoxyphenyl]-5,7-dimethoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 25253452

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one (CID 14332451) is 5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one is COc1cc(C2CC(=O)c3c(cc(OC)c(OC)c3OC)O2)c(OC)c(OC)c1OC.
What is the InChIKey of 5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is IRGHIHOWMUMHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O9/c1-24-15-8-11(18(26-3)22(30-7)20(15)28-5)13-9-12(23)17-14(31-13)10-16(25-2)19(27-4)21(17)29-6/h8,10,13H,9H2,1-7H3.
What are the key properties of 5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one?
5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 434.44 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 14332451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).