2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide

C18H15NO7 — CID 126595540

IUPAC2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide
SMILESCOc1ccc(-c2oc3c(CC(N)=O)c(O)cc(O)c3c(=O)c2O)cc1
InChIInChI=1S/C18H15NO7/c1-25-9-4-2-8(3-5-9)17-16(24)15(23)14-12(21)7-11(20)10(6-13(19)22)18(14)26-17/h2-5,7,20-21,24H,6H2,1H3,(H2,19,22)
InChIKeyHJIGLVLUXZOXRL-UHFFFAOYSA-N
MW357.32 g/mol
LogP1.61
Rot. Bonds4

About 2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide

2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide (PubChem CID 126595540) has the molecular formula C18H15NO7 and a molecular weight of 357.32 g/mol. Its IUPAC name is 2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide.

Molecular Properties

Compound Name2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide
PubChem CID126595540
Molecular FormulaC18H15NO7
Molecular Weight357.32 g/mol
Exact Mass357.08
IUPAC Name2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide
SMILESCOc1ccc(-c2oc3c(CC(N)=O)c(O)cc(O)c3c(=O)c2O)cc1
InChIInChI=1S/C18H15NO7/c1-25-9-4-2-8(3-5-9)17-16(24)15(23)14-12(21)7-11(20)10(6-13(19)22)18(14)26-17/h2-5,7,20-21,24H,6H2,1H3,(H2,19,22)
InChIKeyHJIGLVLUXZOXRL-UHFFFAOYSA-N
XLogP1.61
TPSA143.22 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

iodo(tritio)methane;3,5,7-trihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)chromen-4-one
CID 159326427
3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbuta-1,3-dienyl)chromen-4-one
CID 164909835
3,5-dihydroxy-2-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)-8-(3-methylbut-2-enyl)chromen-4-one
CID 53492213
8-[[2,4-dihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]-6-methoxy-5-methylphenyl]methyl]-3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 102066681
8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane
CID 144894370
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-3-enyl)chromen-4-one
CID 175833714
3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 10643114
3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
CID 102440104
3,5,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 15907673
3,5,7,8-tetrahydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 90744052
3-hydroxy-2-(4-methoxyphenyl)cyclohepta[b]pyran-4,9-dione
CID 850149
3,5-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 14187155

Frequently Asked Questions

What is the IUPAC name of 2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide?
The IUPAC name of 2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide (CID 126595540) is 2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide.
What is the SMILES notation for 2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide?
The canonical SMILES for 2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide is COc1ccc(-c2oc3c(CC(N)=O)c(O)cc(O)c3c(=O)c2O)cc1.
What is the InChIKey of 2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide?
The InChIKey is HJIGLVLUXZOXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO7/c1-25-9-4-2-8(3-5-9)17-16(24)15(23)14-12(21)7-11(20)10(6-13(19)22)18(14)26-17/h2-5,7,20-21,24H,6H2,1H3,(H2,19,22).
What are the key properties of 2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide?
2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide has a molecular weight of 357.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide is sourced from PubChem (CID 126595540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).