6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one

C19H18O7 — CID 123246341

IUPAC6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one
SMILESCOc1ccccc1C1C(=O)c2c(cc3c(c2OC)OCO3)OC1OC
InChIInChI=1S/C19H18O7/c1-21-11-7-5-4-6-10(11)14-16(20)15-12(26-19(14)23-3)8-13-17(18(15)22-2)25-9-24-13/h4-8,14,19H,9H2,1-3H3
InChIKeyAWTNBMRQMSJJIH-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.76
Rot. Bonds4

About 6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one

6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one (PubChem CID 123246341) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is 6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one.

Molecular Properties

Compound Name6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one
PubChem CID123246341
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Name6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one
SMILESCOc1ccccc1C1C(=O)c2c(cc3c(c2OC)OCO3)OC1OC
InChIInChI=1S/C19H18O7/c1-21-11-7-5-4-6-10(11)14-16(20)15-12(26-19(14)23-3)8-13-17(18(15)22-2)25-9-24-13/h4-8,14,19H,9H2,1-3H3
InChIKeyAWTNBMRQMSJJIH-UHFFFAOYSA-N
XLogP2.76
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one with MolForge

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Related Compounds

(5R,5aR,8aR)-5-(2-methoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
CID 139235908
(1R,17R,18R,19R)-9,12,13,14-tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.02,10.04,8.011,16]icosa-2,4(8),9,11,13,15-hexaene
CID 98394392
(1R,17R,18S,19R)-9,12,13,14-tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.02,10.04,8.011,16]icosa-2,4(8),9,11,13,15-hexaene
CID 98263767
4-methoxy-5-(3,4,5-trimethoxyphenyl)-8a,9-dihydro-8H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
CID 14283385
4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
CID 3581045
(3R)-6-methoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-7-methyl-3H-2-benzofuran-1-one
CID 59991422
(8R,9S,10S)-3,4,5,8,19-pentamethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene
CID 46192500
7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
CID 14630603
(4S)-4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 51688966
(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-3H-2-benzofuran-1-one iodide
CID 11364936
(2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one
CID 162961417
(11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one
CID 10685335

Frequently Asked Questions

What is the IUPAC name of 6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one?
The IUPAC name of 6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one (CID 123246341) is 6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one.
What is the SMILES notation for 6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one?
The canonical SMILES for 6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one is COc1ccccc1C1C(=O)c2c(cc3c(c2OC)OCO3)OC1OC.
What is the InChIKey of 6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one?
The InChIKey is AWTNBMRQMSJJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O7/c1-21-11-7-5-4-6-10(11)14-16(20)15-12(26-19(14)23-3)8-13-17(18(15)22-2)25-9-24-13/h4-8,14,19H,9H2,1-3H3.
What are the key properties of 6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one?
6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one has a molecular weight of 358.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one is sourced from PubChem (CID 123246341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).