4-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine

C22H23NO6 — CID 10620812

IUPAC4-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine
SMILESC[C@@H]1[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@H]1N1CCOCC1)OCO3
InChIInChI=1S/C22H23NO6/c1-13-21(14-2-3-16-18(8-14)26-11-25-16)15-9-19-20(28-12-27-19)10-17(15)29-22(13)23-4-6-24-7-5-23/h2-3,8-10,13,21-22H,4-7,11-12H2,1H3/t13-,21+,22-/m1/s1
InChIKeyOFUMSTVCETVCLF-BGUDKVOASA-N
MW397.43 g/mol
LogP2.96
Rot. Bonds2

About 4-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine

4-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine (PubChem CID 10620812) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine.

Molecular Properties

Compound Name4-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine
PubChem CID10620812
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Name4-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine
SMILESC[C@@H]1[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@H]1N1CCOCC1)OCO3
InChIInChI=1S/C22H23NO6/c1-13-21(14-2-3-16-18(8-14)26-11-25-16)15-9-19-20(28-12-27-19)10-17(15)29-22(13)23-4-6-24-7-5-23/h2-3,8-10,13,21-22H,4-7,11-12H2,1H3/t13-,21+,22-/m1/s1
InChIKeyOFUMSTVCETVCLF-BGUDKVOASA-N
XLogP2.96
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine with MolForge

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Related Compounds

4-[(6S,7R,8S)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine
CID 92852148
2-methoxy-6-[(6S,7S,8R)-7-methyl-6-morpholin-4-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol
CID 92857791
1-[(6S,7R,8S)-8-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 92857836
1-[(6S,7S,8R)-8-(2,4-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 92855585
1-[(6S,7R,8S)-8-(2,4-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 92855582
2-aminooxy-6-methoxy-4-(7-methyl-6-piperidin-1-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol
CID 142018930
(6S,7R)-8-(1,3-benzodioxol-5-yl)-6,7-dimethyl-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-one
CID 10903863
(5R,6R,7S)-5-(3,4-dimethoxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole
CID 15559453
(3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 7126435
[(4R)-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 7797573
(6S,7R,8S)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol
CID 11909210
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(oxan-4-yl)piperidin-3-ol
CID 56722210

Frequently Asked Questions

What is the IUPAC name of 4-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine?
The IUPAC name of 4-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine (CID 10620812) is 4-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine.
What is the SMILES notation for 4-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine?
The canonical SMILES for 4-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine is C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@H]1N1CCOCC1)OCO3.
What is the InChIKey of 4-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine?
The InChIKey is OFUMSTVCETVCLF-BGUDKVOASA-N. The full InChI is InChI=1S/C22H23NO6/c1-13-21(14-2-3-16-18(8-14)26-11-25-16)15-9-19-20(28-12-27-19)10-17(15)29-22(13)23-4-6-24-7-5-23/h2-3,8-10,13,21-22H,4-7,11-12H2,1H3/t13-,21+,22-/m1/s1.
What are the key properties of 4-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine?
4-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine has a molecular weight of 397.43 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine is sourced from PubChem (CID 10620812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).