1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine

C23H27NO4 — CID 7601810

IUPAC1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
SMILESCOc1ccc([C@@H]2c3cc4c(cc3O[C@@](C)(N3CCCC3)[C@@H]2C)OCO4)cc1
InChIInChI=1S/C23H27NO4/c1-15-22(16-6-8-17(25-3)9-7-16)18-12-20-21(27-14-26-20)13-19(18)28-23(15,2)24-10-4-5-11-24/h6-9,12-13,15,22H,4-5,10-11,14H2,1-3H3/t15-,22-,23-/m1/s1
InChIKeyHIXCOBNUFVJSMU-DURYTUKUSA-N
MW381.47 g/mol
LogP4.40
Rot. Bonds3

About 1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine

1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine (PubChem CID 7601810) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
PubChem CID7601810
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
SMILESCOc1ccc([C@@H]2c3cc4c(cc3O[C@@](C)(N3CCCC3)[C@@H]2C)OCO4)cc1
InChIInChI=1S/C23H27NO4/c1-15-22(16-6-8-17(25-3)9-7-16)18-12-20-21(27-14-26-20)13-19(18)28-23(15,2)24-10-4-5-11-24/h6-9,12-13,15,22H,4-5,10-11,14H2,1-3H3/t15-,22-,23-/m1/s1
InChIKeyHIXCOBNUFVJSMU-DURYTUKUSA-N
XLogP4.40
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6S,7R,8R)-8-(4-bromophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 98747475
8-(4-methoxyphenyl)-6,6,7-trimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
CID 18337459
1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 28908695
1-[8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 3751695
1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidin-1-ium
CID 7601809
1-[(6R,7S,8S)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidin-1-ium
CID 7601886
1-[(6R,8R)-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 92855581
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
ethyl (6S,7R,8R)-8-(2,4-dimethoxyphenyl)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate
CID 124826515
(6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
CID 6993164
(6R,7R,8S)-8-(2,5-dimethoxyphenyl)-6-methoxy-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
CID 40595758
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

Frequently Asked Questions

What is the IUPAC name of 1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine?
The IUPAC name of 1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine (CID 7601810) is 1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine.
What is the SMILES notation for 1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine?
The canonical SMILES for 1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine is COc1ccc([C@@H]2c3cc4c(cc3O[C@@](C)(N3CCCC3)[C@@H]2C)OCO4)cc1.
What is the InChIKey of 1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine?
The InChIKey is HIXCOBNUFVJSMU-DURYTUKUSA-N. The full InChI is InChI=1S/C23H27NO4/c1-15-22(16-6-8-17(25-3)9-7-16)18-12-20-21(27-14-26-20)13-19(18)28-23(15,2)24-10-4-5-11-24/h6-9,12-13,15,22H,4-5,10-11,14H2,1-3H3/t15-,22-,23-/m1/s1.
What are the key properties of 1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine?
1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine has a molecular weight of 381.47 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine is sourced from PubChem (CID 7601810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).