[(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol

C32H38O4 — CID 134579668

IUPAC[(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol
SMILESCC(C)(C)Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OC[C@H]2CC[C@@H](CO)O2)cc1
InChIInChI=1S/C32H38O4/c1-32(2,3)36-26-16-18-30-24(19-26)11-17-29(22-7-5-4-6-8-22)31(30)23-9-12-25(13-10-23)34-21-28-15-14-27(20-33)35-28/h4-10,12-13,16,18-19,27-29,31,33H,11,14-15,17,20-21H2,1-3H3/t27-,28+,29+,31-/m0/s1
InChIKeyYERNCLOPPQMRPT-MLSIGSLTSA-N
MW486.65 g/mol
LogP6.64
Rot. Bonds7

About [(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol

[(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol (PubChem CID 134579668) has the molecular formula C32H38O4 and a molecular weight of 486.65 g/mol. Its IUPAC name is [(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol
PubChem CID134579668
Molecular FormulaC32H38O4
Molecular Weight486.65 g/mol
Exact Mass486.28
IUPAC Name[(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol
SMILESCC(C)(C)Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OC[C@H]2CC[C@@H](CO)O2)cc1
InChIInChI=1S/C32H38O4/c1-32(2,3)36-26-16-18-30-24(19-26)11-17-29(22-7-5-4-6-8-22)31(30)23-9-12-25(13-10-23)34-21-28-15-14-27(20-33)35-28/h4-10,12-13,16,18-19,27-29,31,33H,11,14-15,17,20-21H2,1-3H3/t27-,28+,29+,31-/m0/s1
InChIKeyYERNCLOPPQMRPT-MLSIGSLTSA-N
XLogP6.64
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.65
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol (CID 134579668) is [(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol is CC(C)(C)Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OC[C@H]2CC[C@@H](CO)O2)cc1.
What is the InChIKey of [(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol?
The InChIKey is YERNCLOPPQMRPT-MLSIGSLTSA-N. The full InChI is InChI=1S/C32H38O4/c1-32(2,3)36-26-16-18-30-24(19-26)11-17-29(22-7-5-4-6-8-22)31(30)23-9-12-25(13-10-23)34-21-28-15-14-27(20-33)35-28/h4-10,12-13,16,18-19,27-29,31,33H,11,14-15,17,20-21H2,1-3H3/t27-,28+,29+,31-/m0/s1.
What are the key properties of [(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol?
[(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol has a molecular weight of 486.65 g/mol, XLogP of 6.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol is sourced from PubChem (CID 134579668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).