(1R,2S,5R)-2-[2-[(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol

C33H41NO3 — CID 11477550

IUPAC(1R,2S,5R)-2-[2-[(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCOc1ccc([C@@]2(OCc3ccccc3)CN(C(C)(C)[C@@H]3CC[C@@H](C)C[C@H]3O)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C33H41NO3/c1-24-15-20-29(30(35)21-24)32(2,3)34-23-33(27-16-18-28(36-4)19-17-27,31(34)26-13-9-6-10-14-26)37-22-25-11-7-5-8-12-25/h5-14,16-19,24,29-31,35H,15,20-23H2,1-4H3/t24-,29-,30-,31+,33+/m1/s1
InChIKeyGLFZTMMYMYQWHQ-XLFNBBOOSA-N
MW499.70 g/mol
LogP6.74
Rot. Bonds8

About (1R,2S,5R)-2-[2-[(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol

(1R,2S,5R)-2-[2-[(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 11477550) has the molecular formula C33H41NO3 and a molecular weight of 499.70 g/mol. Its IUPAC name is (1R,2S,5R)-2-[2-[(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-2-[2-[(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID11477550
Molecular FormulaC33H41NO3
Molecular Weight499.70 g/mol
Exact Mass499.31
IUPAC Name(1R,2S,5R)-2-[2-[(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCOc1ccc([C@@]2(OCc3ccccc3)CN(C(C)(C)[C@@H]3CC[C@@H](C)C[C@H]3O)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C33H41NO3/c1-24-15-20-29(30(35)21-24)32(2,3)34-23-33(27-16-18-28(36-4)19-17-27,31(34)26-13-9-6-10-14-26)37-22-25-11-7-5-8-12-25/h5-14,16-19,24,29-31,35H,15,20-23H2,1-4H3/t24-,29-,30-,31+,33+/m1/s1
InChIKeyGLFZTMMYMYQWHQ-XLFNBBOOSA-N
XLogP6.74
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.70
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2S,5R)-2-[2-[(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol with MolForge

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Related Compounds

1-Benzhydryl-4-(4-methoxyphenyl)piperidin-4-ol
CID 10384734
1-[Benzyl(ethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol
CID 4852475
1-Cyclohexyl-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 24762048
2-[[2-[Tris(4-methoxyphenyl)methoxy]ethylamino]methyl]phenol
CID 25149120
2-(2-Hydroxy-5-prop-2-enylphenyl)-6-[(2-methoxyphenyl)-morpholin-4-ylmethyl]-4-prop-2-enylphenol
CID 162665378
3-[Benzyl(propan-2-yl)amino]-1-(4-phenoxyphenyl)propan-1-ol
CID 59570730
3-(4-Methoxyphenyl)-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]azetidin-3-ol
CID 46703773
3-[Benzyl(propan-2-yl)amino]-1-(4-phenylmethoxyphenyl)propan-1-ol
CID 127046572
(1S,2'S,4a'S,7'R,8a'R)-1-(3-Benzyl-4',4',7'-trimethyl-octahydro-2H-benzo[e][1,3] oxazin-2'-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol
CID 11562004
(1S)-1-(3-benzyl-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-2-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol
CID 135056210
(1S)-1-(3-benzyl-4,7-dimethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol
CID 135079538
(2S)-2-[[benzyl-[(1S)-1-phenylethyl]amino]methyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 59522931

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-[2-[(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-2-[2-[(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol (CID 11477550) is (1R,2S,5R)-2-[2-[(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-2-[2-[(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-2-[2-[(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol is COc1ccc([C@@]2(OCc3ccccc3)CN(C(C)(C)[C@@H]3CC[C@@H](C)C[C@H]3O)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (1R,2S,5R)-2-[2-[(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is GLFZTMMYMYQWHQ-XLFNBBOOSA-N. The full InChI is InChI=1S/C33H41NO3/c1-24-15-20-29(30(35)21-24)32(2,3)34-23-33(27-16-18-28(36-4)19-17-27,31(34)26-13-9-6-10-14-26)37-22-25-11-7-5-8-12-25/h5-14,16-19,24,29-31,35H,15,20-23H2,1-4H3/t24-,29-,30-,31+,33+/m1/s1.
What are the key properties of (1R,2S,5R)-2-[2-[(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
(1R,2S,5R)-2-[2-[(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 499.70 g/mol, XLogP of 6.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-[2-[(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 11477550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).