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

C22H25NO6 — CID 92857791

IUPAC2-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
SMILESCOc1cccc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)c1O
InChIInChI=1S/C22H25NO6/c1-13-20(14-4-3-5-16(25-2)21(14)24)15-10-18-19(28-12-27-18)11-17(15)29-22(13)23-6-8-26-9-7-23/h3-5,10-11,13,20,22,24H,6-9,12H2,1-2H3/t13-,20+,22-/m0/s1
InChIKeyRBEXOAWNMJODKC-NJDIQBRYSA-N
MW399.44 g/mol
LogP2.95
Rot. Bonds3

About 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

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 (PubChem CID 92857791) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID92857791
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name2-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
SMILESCOc1cccc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)c1O
InChIInChI=1S/C22H25NO6/c1-13-20(14-4-3-5-16(25-2)21(14)24)15-10-18-19(28-12-27-18)11-17(15)29-22(13)23-6-8-26-9-7-23/h3-5,10-11,13,20,22,24H,6-9,12H2,1-2H3/t13-,20+,22-/m0/s1
InChIKeyRBEXOAWNMJODKC-NJDIQBRYSA-N
XLogP2.95
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(6S,7R,8R)-7-ethyl-6-pyrrolidin-1-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-6-methoxyphenol
CID 95906994
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
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
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
(6R,7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
CID 7601831
2-(6,7-dimethyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol;propane
CID 142018936
4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol
CID 92557020
4-[(6S,7R,8R)-6-(diethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol
CID 94904290
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)c1O.
What is the InChIKey of 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?
The InChIKey is RBEXOAWNMJODKC-NJDIQBRYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-13-20(14-4-3-5-16(25-2)21(14)24)15-10-18-19(28-12-27-18)11-17(15)29-22(13)23-6-8-26-9-7-23/h3-5,10-11,13,20,22,24H,6-9,12H2,1-2H3/t13-,20+,22-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 399.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 92857791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).