5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one

C18H16O6 — CID 10830108

IUPAC5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OC)c(OC)c(O)c3c2=O)cc1
InChIInChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)12-9-24-13-8-14(22-2)18(23-3)17(20)15(13)16(12)19/h4-9,20H,1-3H3
InChIKeyWPAFRCVVAONVFD-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.19
Rot. Bonds4

About 5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one

5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one (PubChem CID 10830108) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is 5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
PubChem CID10830108
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OC)c(OC)c(O)c3c2=O)cc1
InChIInChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)12-9-24-13-8-14(22-2)18(23-3)17(20)15(13)16(12)19/h4-9,20H,1-3H3
InChIKeyWPAFRCVVAONVFD-UHFFFAOYSA-N
XLogP3.19
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one
CID 46840811
5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one
CID 5491550
5-hydroxy-6,7-dimethoxy-3-[4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 163004933
5-hydroxy-6,7-dimethoxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 163004931
3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 162855951
5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 6708795
5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
CID 5464170
5-hydroxy-7-methoxy-3-(4-methoxyphenyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
CID 162885285
5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
CID 154828490
7-methoxy-3-(4-methoxyphenyl)-6-methylchromen-4-one
CID 57363360
[4-(5,7-diacetyloxy-6-methoxy-4-oxochromen-3-yl)phenyl] acetate
CID 162915533
5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 163053098

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one (CID 10830108) is 5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2coc3cc(OC)c(OC)c(O)c3c2=O)cc1.
What is the InChIKey of 5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one?
The InChIKey is WPAFRCVVAONVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)12-9-24-13-8-14(22-2)18(23-3)17(20)15(13)16(12)19/h4-9,20H,1-3H3.
What are the key properties of 5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one?
5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one has a molecular weight of 328.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 10830108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).