(6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol

C26H33NO3 — CID 11315779

IUPAC(6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol
SMILESCOc1ccc([C@@H]2CC3(N4CCCC4)CC(O)C2[C@H](c2ccc(OC)cc2)C3)cc1
InChIInChI=1S/C26H33NO3/c1-29-20-9-5-18(6-10-20)22-15-26(27-13-3-4-14-27)16-23(25(22)24(28)17-26)19-7-11-21(30-2)12-8-19/h5-12,22-25,28H,3-4,13-17H2,1-2H3/t22-,23-,24?,25?,26?/m0/s1
InChIKeyHWQISLZWCOZLRA-GVABRVPGSA-N
MW407.55 g/mol
LogP4.58
Rot. Bonds5

About (6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol

(6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol (PubChem CID 11315779) has the molecular formula C26H33NO3 and a molecular weight of 407.55 g/mol. Its IUPAC name is (6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name(6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol
PubChem CID11315779
Molecular FormulaC26H33NO3
Molecular Weight407.55 g/mol
Exact Mass407.25
IUPAC Name(6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol
SMILESCOc1ccc([C@@H]2CC3(N4CCCC4)CC(O)C2[C@H](c2ccc(OC)cc2)C3)cc1
InChIInChI=1S/C26H33NO3/c1-29-20-9-5-18(6-10-20)22-15-26(27-13-3-4-14-27)16-23(25(22)24(28)17-26)19-7-11-21(30-2)12-8-19/h5-12,22-25,28H,3-4,13-17H2,1-2H3/t22-,23-,24?,25?,26?/m0/s1
InChIKeyHWQISLZWCOZLRA-GVABRVPGSA-N
XLogP4.58
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol with MolForge

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Related Compounds

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1-(2-chlorocyclopropyl)-4-methoxybenzene
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1-(4-methoxyphenyl)piperidine
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CID 79057208
1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride
CID 71750128
2-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]guanidine
CID 95274512
2-[4-(4-methoxyphenyl)phenyl]cyclopentan-1-amine
CID 69111845
[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 121001967

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol?
The IUPAC name of (6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol (CID 11315779) is (6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for (6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol?
The canonical SMILES for (6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol is COc1ccc([C@@H]2CC3(N4CCCC4)CC(O)C2[C@H](c2ccc(OC)cc2)C3)cc1.
What is the InChIKey of (6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol?
The InChIKey is HWQISLZWCOZLRA-GVABRVPGSA-N. The full InChI is InChI=1S/C26H33NO3/c1-29-20-9-5-18(6-10-20)22-15-26(27-13-3-4-14-27)16-23(25(22)24(28)17-26)19-7-11-21(30-2)12-8-19/h5-12,22-25,28H,3-4,13-17H2,1-2H3/t22-,23-,24?,25?,26?/m0/s1.
What are the key properties of (6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol?
(6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol has a molecular weight of 407.55 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 11315779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).