(2R)-2-[(2S)-3-[(2S)-2-[(1R)-1-hydroxy-1-(4-methylphenyl)ethyl]pyrrolidin-1-yl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol

C27H38N2O3 — CID 142507533

IUPAC(2R)-2-[(2S)-3-[(2S)-2-[(1R)-1-hydroxy-1-(4-methylphenyl)ethyl]pyrrolidin-1-yl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C[C@@](C)(O)[C@H]2NCCC2N2CCC[C@H]2[C@](C)(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H38N2O3/c1-19-7-11-21(12-8-19)27(3,31)24-6-5-17-29(24)23-15-16-28-25(23)26(2,30)18-20-9-13-22(32-4)14-10-20/h7-14,23-25,28,30-31H,5-6,15-18H2,1-4H3/t23?,24-,25-,26+,27+/m0/s1
InChIKeyKHMHZZQMMOKQQX-RKUYZONPSA-N
MW438.61 g/mol
LogP3.40
Rot. Bonds7

About (2R)-2-[(2S)-3-[(2S)-2-[(1R)-1-hydroxy-1-(4-methylphenyl)ethyl]pyrrolidin-1-yl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol

(2R)-2-[(2S)-3-[(2S)-2-[(1R)-1-hydroxy-1-(4-methylphenyl)ethyl]pyrrolidin-1-yl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol (PubChem CID 142507533) has the molecular formula C27H38N2O3 and a molecular weight of 438.61 g/mol. Its IUPAC name is (2R)-2-[(2S)-3-[(2S)-2-[(1R)-1-hydroxy-1-(4-methylphenyl)ethyl]pyrrolidin-1-yl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name(2R)-2-[(2S)-3-[(2S)-2-[(1R)-1-hydroxy-1-(4-methylphenyl)ethyl]pyrrolidin-1-yl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol
PubChem CID142507533
Molecular FormulaC27H38N2O3
Molecular Weight438.61 g/mol
Exact Mass438.29
IUPAC Name(2R)-2-[(2S)-3-[(2S)-2-[(1R)-1-hydroxy-1-(4-methylphenyl)ethyl]pyrrolidin-1-yl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C[C@@](C)(O)[C@H]2NCCC2N2CCC[C@H]2[C@](C)(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H38N2O3/c1-19-7-11-21(12-8-19)27(3,31)24-6-5-17-29(24)23-15-16-28-25(23)26(2,30)18-20-9-13-22(32-4)14-10-20/h7-14,23-25,28,30-31H,5-6,15-18H2,1-4H3/t23?,24-,25-,26+,27+/m0/s1
InChIKeyKHMHZZQMMOKQQX-RKUYZONPSA-N
XLogP3.40
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(2S)-3-[(2S)-2-[(1R)-1-hydroxy-1-(4-methylphenyl)ethyl]pyrrolidin-1-yl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol with MolForge

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Related Compounds

2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
2-[(2S)-5-[[4-[(1R)-1-hydroxy-1-[(2S)-pyrrolidin-2-yl]ethyl]phenyl]methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol
CID 155141439
1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol
CID 105474764
1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 154751343
1-(4-methoxyphenyl)-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]ethanol
CID 128974487
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol
CID 128974507
N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 154751347
[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128974683
(1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 100673530
furan-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
CID 128974674
2-cyclohexyl-1-(4-methylphenyl)propan-2-ol
CID 114794900
(2,6-dimethylpyrimidin-4-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
CID 128994946

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-3-[(2S)-2-[(1R)-1-hydroxy-1-(4-methylphenyl)ethyl]pyrrolidin-1-yl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of (2R)-2-[(2S)-3-[(2S)-2-[(1R)-1-hydroxy-1-(4-methylphenyl)ethyl]pyrrolidin-1-yl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol (CID 142507533) is (2R)-2-[(2S)-3-[(2S)-2-[(1R)-1-hydroxy-1-(4-methylphenyl)ethyl]pyrrolidin-1-yl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for (2R)-2-[(2S)-3-[(2S)-2-[(1R)-1-hydroxy-1-(4-methylphenyl)ethyl]pyrrolidin-1-yl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for (2R)-2-[(2S)-3-[(2S)-2-[(1R)-1-hydroxy-1-(4-methylphenyl)ethyl]pyrrolidin-1-yl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol is COc1ccc(C[C@@](C)(O)[C@H]2NCCC2N2CCC[C@H]2[C@](C)(O)c2ccc(C)cc2)cc1.
What is the InChIKey of (2R)-2-[(2S)-3-[(2S)-2-[(1R)-1-hydroxy-1-(4-methylphenyl)ethyl]pyrrolidin-1-yl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol?
The InChIKey is KHMHZZQMMOKQQX-RKUYZONPSA-N. The full InChI is InChI=1S/C27H38N2O3/c1-19-7-11-21(12-8-19)27(3,31)24-6-5-17-29(24)23-15-16-28-25(23)26(2,30)18-20-9-13-22(32-4)14-10-20/h7-14,23-25,28,30-31H,5-6,15-18H2,1-4H3/t23?,24-,25-,26+,27+/m0/s1.
What are the key properties of (2R)-2-[(2S)-3-[(2S)-2-[(1R)-1-hydroxy-1-(4-methylphenyl)ethyl]pyrrolidin-1-yl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol?
(2R)-2-[(2S)-3-[(2S)-2-[(1R)-1-hydroxy-1-(4-methylphenyl)ethyl]pyrrolidin-1-yl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol has a molecular weight of 438.61 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-3-[(2S)-2-[(1R)-1-hydroxy-1-(4-methylphenyl)ethyl]pyrrolidin-1-yl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 142507533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).