2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one

C22H24O8 — CID 142929764

IUPAC2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one
SMILESCOc1cc(C)c(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC
InChIInChI=1S/C22H24O8/c1-11-8-15(24-2)16(25-3)9-12(11)14-10-13(23)17-18(26-4)20(27-5)22(29-7)21(28-6)19(17)30-14/h8-10H,1-7H3
InChIKeyZKSCLIHRKNLYFP-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.82
Rot. Bonds7

About 2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one

2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one (PubChem CID 142929764) has the molecular formula C22H24O8 and a molecular weight of 416.43 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one
PubChem CID142929764
Molecular FormulaC22H24O8
Molecular Weight416.43 g/mol
Exact Mass416.15
IUPAC Name2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one
SMILESCOc1cc(C)c(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC
InChIInChI=1S/C22H24O8/c1-11-8-15(24-2)16(25-3)9-12(11)14-10-13(23)17-18(26-4)20(27-5)22(29-7)21(28-6)19(17)30-14/h8-10H,1-7H3
InChIKeyZKSCLIHRKNLYFP-UHFFFAOYSA-N
XLogP3.82
TPSA85.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103637
5,6,7,8-tetramethoxy-2-(4-methoxy-3-nitrophenyl)chromen-4-one
CID 44583489
2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103624
5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
CID 14889330
2-(2-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 13190885
5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one
CID 141103639
2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 102403396
5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 146460571
4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103630
2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one
CID 86239579
8-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
CID 163059713
4,5-dimethoxy-N-methyl-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103629

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one?
The IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one (CID 142929764) is 2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one.
What is the SMILES notation for 2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one?
The canonical SMILES for 2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one is COc1cc(C)c(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one?
The InChIKey is ZKSCLIHRKNLYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O8/c1-11-8-15(24-2)16(25-3)9-12(11)14-10-13(23)17-18(26-4)20(27-5)22(29-7)21(28-6)19(17)30-14/h8-10H,1-7H3.
What are the key properties of 2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one?
2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one has a molecular weight of 416.43 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one is sourced from PubChem (CID 142929764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).