7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one

C19H16O7 — CID 14630603

IUPAC7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
SMILESCOc1cccc(-c2coc3cc4c(c(OC)c3c2=O)OCO4)c1OC
InChIInChI=1S/C19H16O7/c1-21-12-6-4-5-10(17(12)22-2)11-8-24-13-7-14-18(26-9-25-14)19(23-3)15(13)16(11)20/h4-8H,9H2,1-3H3
InChIKeyJNSCCTMZOHUUSE-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.21
Rot. Bonds4

About 7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one

7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one (PubChem CID 14630603) has the molecular formula C19H16O7 and a molecular weight of 356.33 g/mol. Its IUPAC name is 7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one.

Molecular Properties

Compound Name7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
PubChem CID14630603
Molecular FormulaC19H16O7
Molecular Weight356.33 g/mol
Exact Mass356.09
IUPAC Name7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
SMILESCOc1cccc(-c2coc3cc4c(c(OC)c3c2=O)OCO4)c1OC
InChIInChI=1S/C19H16O7/c1-21-12-6-4-5-10(17(12)22-2)11-8-24-13-7-14-18(26-9-25-14)19(23-3)15(13)16(11)20/h4-8H,9H2,1-3H3
InChIKeyJNSCCTMZOHUUSE-UHFFFAOYSA-N
XLogP3.21
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-methoxyphenyl]-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
CID 102338246
8-methoxy-1,3-benzodioxin-4-one
CID 141355094
9-methoxy-7-[4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
CID 162928285
5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one
CID 5491550
10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one
CID 162817781
9-hydroxy-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1,6,8,11(19),13(18),14,16-heptaen-12-one
CID 135809749
9-methoxy-8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 134910771
7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
CID 10782790
3-(6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dimethoxychromen-4-one
CID 71461759
5-(cyclohexylmethoxy)-3-(2,3,4-trimethoxyphenyl)chromen-4-one
CID 46906618
(6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one
CID 155806484
3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 162855951

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one?
The IUPAC name of 7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one (CID 14630603) is 7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one.
What is the SMILES notation for 7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one?
The canonical SMILES for 7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one is COc1cccc(-c2coc3cc4c(c(OC)c3c2=O)OCO4)c1OC.
What is the InChIKey of 7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one?
The InChIKey is JNSCCTMZOHUUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O7/c1-21-12-6-4-5-10(17(12)22-2)11-8-24-13-7-14-18(26-9-25-14)19(23-3)15(13)16(11)20/h4-8H,9H2,1-3H3.
What are the key properties of 7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one?
7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one has a molecular weight of 356.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one is sourced from PubChem (CID 14630603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).