7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one

C17H14O5 — CID 169433907

IUPAC7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one
SMILES[2H]c1c([2H])c(-c2coc3cc(O)c(OC)cc3c2=O)c([2H])c([2H])c1OC
InChIInChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3/i3D,4D,5D,6D
InChIKeyKJGPBYUQZLUKLL-LNFUJOGGSA-N
MW302.32 g/mol
LogP3.18
Rot. Bonds3

About 7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one

7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one (PubChem CID 169433907) has the molecular formula C17H14O5 and a molecular weight of 302.32 g/mol. Its IUPAC name is 7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one
PubChem CID169433907
Molecular FormulaC17H14O5
Molecular Weight302.32 g/mol
Exact Mass302.11
IUPAC Name7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one
SMILES[2H]c1c([2H])c(-c2coc3cc(O)c(OC)cc3c2=O)c([2H])c([2H])c1OC
InChIInChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3/i3D,4D,5D,6D
InChIKeyKJGPBYUQZLUKLL-LNFUJOGGSA-N
XLogP3.18
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one
CID 16743458
3-(3,4-dimethoxyphenyl)-6,7-dihydroxychromen-4-one
CID 21270169
6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
CID 15485381
3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one
CID 102347784
7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid
CID 13188007
6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one
CID 15228899
6-bromo-3-(3,5-dibromo-4-hydroxyphenyl)-7-methoxychromen-4-one
CID 46928809
6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one
CID 42604870
3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
CID 631176
7-hydroxy-6-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 162896881
7-methoxy-3-(4-methoxyphenyl)-6-methylchromen-4-one
CID 57363360
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one?
The IUPAC name of 7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one (CID 169433907) is 7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one is [2H]c1c([2H])c(-c2coc3cc(O)c(OC)cc3c2=O)c([2H])c([2H])c1OC.
What is the InChIKey of 7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one?
The InChIKey is KJGPBYUQZLUKLL-LNFUJOGGSA-N. The full InChI is InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3/i3D,4D,5D,6D.
What are the key properties of 7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one?
7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one has a molecular weight of 302.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 169433907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).