2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one

C19H18O7 — CID 146500533

IUPAC2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one
SMILESCOc1ccc(-c2oc3c(C)c(O)cc(O)c3c(=O)c2OC)cc1OC
InChIInChI=1S/C19H18O7/c1-9-11(20)8-12(21)15-16(22)19(25-4)18(26-17(9)15)10-5-6-13(23-2)14(7-10)24-3/h5-8,20-21H,1-4H3
InChIKeyZIHQJNAOKGEZNY-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.21
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one

2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one (PubChem CID 146500533) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one
PubChem CID146500533
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Name2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one
SMILESCOc1ccc(-c2oc3c(C)c(O)cc(O)c3c(=O)c2OC)cc1OC
InChIInChI=1S/C19H18O7/c1-9-11(20)8-12(21)15-16(22)19(25-4)18(26-17(9)15)10-5-6-13(23-2)14(7-10)24-3/h5-8,20-21H,1-4H3
InChIKeyZIHQJNAOKGEZNY-UHFFFAOYSA-N
XLogP3.21
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one
CID 162848461
[2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-8-methoxy-4-oxochromen-3-yl] 2-methylbut-2-enoate
CID 74978560
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one
CID 14376225
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one
CID 15137940
2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-dimethoxy-3-methylchromen-4-one
CID 14873686
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
CID 5380905
3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one
CID 73346146
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-8-methylchromen-4-one
CID 46913430
3,5,7,8-tetrahydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 90744052
3,5,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 15907673
2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one
CID 58133612

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one (CID 146500533) is 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one is COc1ccc(-c2oc3c(C)c(O)cc(O)c3c(=O)c2OC)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one?
The InChIKey is ZIHQJNAOKGEZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O7/c1-9-11(20)8-12(21)15-16(22)19(25-4)18(26-17(9)15)10-5-6-13(23-2)14(7-10)24-3/h5-8,20-21H,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one?
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one has a molecular weight of 358.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one is sourced from PubChem (CID 146500533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).