(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol

C24H33NO2 — CID 92716985

IUPAC(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
SMILESCOc1ccc([C@](O)(CC(C)C)[C@@H](CN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H33NO2/c1-19(2)17-24(26,21-11-13-22(27-3)14-12-21)23(18-25-15-7-8-16-25)20-9-5-4-6-10-20/h4-6,9-14,19,23,26H,7-8,15-18H2,1-3H3/t23-,24+/m0/s1
InChIKeyDIYLIMPGTSFMFT-BJKOFHAPSA-N
MW367.53 g/mol
LogP4.81
Rot. Bonds8

About (2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol

(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol (PubChem CID 92716985) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is (2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol.

Molecular Properties

Compound Name(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
PubChem CID92716985
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
SMILESCOc1ccc([C@](O)(CC(C)C)[C@@H](CN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H33NO2/c1-19(2)17-24(26,21-11-13-22(27-3)14-12-21)23(18-25-15-7-8-16-25)20-9-5-4-6-10-20/h4-6,9-14,19,23,26H,7-8,15-18H2,1-3H3/t23-,24+/m0/s1
InChIKeyDIYLIMPGTSFMFT-BJKOFHAPSA-N
XLogP4.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-(4-ethoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643810
3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride
CID 146052045
(2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol
CID 92720780
(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949400
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol
CID 23606587
(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 28949170
2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride
CID 146051967
(2R,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-6-methyl-2-phenylheptan-3-ol
CID 40643762
(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 29184942
2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 23607019
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol
CID 28949139

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol?
The IUPAC name of (2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol (CID 92716985) is (2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol.
What is the SMILES notation for (2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol?
The canonical SMILES for (2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol is COc1ccc([C@](O)(CC(C)C)[C@@H](CN2CCCC2)c2ccccc2)cc1.
What is the InChIKey of (2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol?
The InChIKey is DIYLIMPGTSFMFT-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H33NO2/c1-19(2)17-24(26,21-11-13-22(27-3)14-12-21)23(18-25-15-7-8-16-25)20-9-5-4-6-10-20/h4-6,9-14,19,23,26H,7-8,15-18H2,1-3H3/t23-,24+/m0/s1.
What are the key properties of (2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol?
(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol has a molecular weight of 367.53 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol is sourced from PubChem (CID 92716985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).