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

C23H27NO5 — CID 95906994

IUPAC2-[(6S,7R,8R)-7-ethyl-6-pyrrolidin-1-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-6-methoxyphenol
SMILESCC[C@@H]1[C@H](c2cccc(OC)c2O)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3
InChIInChI=1S/C23H27NO5/c1-3-14-21(15-7-6-8-17(26-2)22(15)25)16-11-19-20(28-13-27-19)12-18(16)29-23(14)24-9-4-5-10-24/h6-8,11-12,14,21,23,25H,3-5,9-10,13H2,1-2H3/t14-,21-,23+/m1/s1
InChIKeyUWMPNVWZHCIJMI-NZCIYTFRSA-N
MW397.47 g/mol
LogP4.10
Rot. Bonds4

About 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

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 (PubChem CID 95906994) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(6S,7R,8R)-7-ethyl-6-pyrrolidin-1-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-6-methoxyphenol
PubChem CID95906994
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name2-[(6S,7R,8R)-7-ethyl-6-pyrrolidin-1-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-6-methoxyphenol
SMILESCC[C@@H]1[C@H](c2cccc(OC)c2O)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3
InChIInChI=1S/C23H27NO5/c1-3-14-21(15-7-6-8-17(26-2)22(15)25)16-11-19-20(28-13-27-19)12-18(16)29-23(14)24-9-4-5-10-24/h6-8,11-12,14,21,23,25H,3-5,9-10,13H2,1-2H3/t14-,21-,23+/m1/s1
InChIKeyUWMPNVWZHCIJMI-NZCIYTFRSA-N
XLogP4.10
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 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

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
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
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
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
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
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
(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
(6S,7S,8S)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol
CID 11909232

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@@H]1[C@H](c2cccc(OC)c2O)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3.
What is the InChIKey of 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?
The InChIKey is UWMPNVWZHCIJMI-NZCIYTFRSA-N. The full InChI is InChI=1S/C23H27NO5/c1-3-14-21(15-7-6-8-17(26-2)22(15)25)16-11-19-20(28-13-27-19)12-18(16)29-23(14)24-9-4-5-10-24/h6-8,11-12,14,21,23,25H,3-5,9-10,13H2,1-2H3/t14-,21-,23+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 397.47 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 95906994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).