[(1S)-1-methoxy-2-propan-2-yloxyethyl]benzene;(1-methoxy-2-propan-2-yloxyethyl)benzene;2-methyl-5-propan-2-ylfuran;2-methyl-1-propan-2-yloxypropan-2-ol;1-methyl-2-propan-2-ylpyrrole;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;2-phenyl-2-propan-2-yloxyethanol;(2S)-2-phenyl-2-propan-2-yloxyethanol;2-propan-2-ylsulfanylpropane

C91H147NO11S3 — CID 167667701

IUPAC[(1S)-1-methoxy-2-propan-2-yloxyethyl]benzene;(1-methoxy-2-propan-2-yloxyethyl)benzene;2-methyl-5-propan-2-ylfuran;2-methyl-1-propan-2-yloxypropan-2-ol;1-methyl-2-propan-2-ylpyrrole;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;2-phenyl-2-propan-2-yloxyethanol;(2S)-2-phenyl-2-propan-2-yloxyethanol;2-propan-2-ylsulfanylpropane
SMILESCC(C)OC(CO)c1ccccc1.CC(C)OCC(C)(C)O.CC(C)O[C@H](CO)c1ccccc1.CC(C)SC(C)C.CC(C)c1cccn1C.COC(COC(C)C)c1ccccc1.CO[C@H](COC(C)C)c1ccccc1.Cc1ccc(C(C)C)o1.Cc1ccsc1C(C)C.Cc1csc(C(C)C)c1
InChIInChI=1S/2C12H18O2.2C11H16O2.C8H13N.C8H12O.2C8H12S.C7H16O2.C6H14S/c2*1-10(2)14-9-12(13-3)11-7-5-4-6-8-11;2*1-9(2)13-11(8-12)10-6-4-3-5-7-10;1-7(2)8-5-4-6-9(8)3;1-6(2)8-5-4-7(3)9-8;1-6(2)8-4-7(3)5-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)9-5-7(3,4)8;1-5(2)7-6(3)4/h2*4-8,10,12H,9H2,1-3H3;2*3-7,9,11-12H,8H2,1-2H3;4-7H,1-3H3;3*4-6H,1-3H3;6,8H,5H2,1-4H3;5-6H,1-4H3/t12-;;11-;;;;;;;/m1.1......./s1
InChIKeySWLOIERSPUCART-KRRUMUPGSA-N
MW1527.37 g/mol
LogP24.83
Rot. Bonds27

About [(1S)-1-methoxy-2-propan-2-yloxyethyl]benzene;(1-methoxy-2-propan-2-yloxyethyl)benzene;2-methyl-5-propan-2-ylfuran;2-methyl-1-propan-2-yloxypropan-2-ol;1-methyl-2-propan-2-ylpyrrole;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;2-phenyl-2-propan-2-yloxyethanol;(2S)-2-phenyl-2-propan-2-yloxyethanol;2-propan-2-ylsulfanylpropane

[(1S)-1-methoxy-2-propan-2-yloxyethyl]benzene;(1-methoxy-2-propan-2-yloxyethyl)benzene;2-methyl-5-propan-2-ylfuran;2-methyl-1-propan-2-yloxypropan-2-ol;1-methyl-2-propan-2-ylpyrrole;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;2-phenyl-2-propan-2-yloxyethanol;(2S)-2-phenyl-2-propan-2-yloxyethanol;2-propan-2-ylsulfanylpropane (PubChem CID 167667701) has the molecular formula C91H147NO11S3 and a molecular weight of 1527.37 g/mol. Its IUPAC name is [(1S)-1-methoxy-2-propan-2-yloxyethyl]benzene;(1-methoxy-2-propan-2-yloxyethyl)benzene;2-methyl-5-propan-2-ylfuran;2-methyl-1-propan-2-yloxypropan-2-ol;1-methyl-2-propan-2-ylpyrrole;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;2-phenyl-2-propan-2-yloxyethanol;(2S)-2-phenyl-2-propan-2-yloxyethanol;2-propan-2-ylsulfanylpropane.

Molecular Properties

Compound Name[(1S)-1-methoxy-2-propan-2-yloxyethyl]benzene;(1-methoxy-2-propan-2-yloxyethyl)benzene;2-methyl-5-propan-2-ylfuran;2-methyl-1-propan-2-yloxypropan-2-ol;1-methyl-2-propan-2-ylpyrrole;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;2-phenyl-2-propan-2-yloxyethanol;(2S)-2-phenyl-2-propan-2-yloxyethanol;2-propan-2-ylsulfanylpropane
PubChem CID167667701
Molecular FormulaC91H147NO11S3
Molecular Weight1527.37 g/mol
Exact Mass1526.01
IUPAC Name[(1S)-1-methoxy-2-propan-2-yloxyethyl]benzene;(1-methoxy-2-propan-2-yloxyethyl)benzene;2-methyl-5-propan-2-ylfuran;2-methyl-1-propan-2-yloxypropan-2-ol;1-methyl-2-propan-2-ylpyrrole;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;2-phenyl-2-propan-2-yloxyethanol;(2S)-2-phenyl-2-propan-2-yloxyethanol;2-propan-2-ylsulfanylpropane
SMILESCC(C)OC(CO)c1ccccc1.CC(C)OCC(C)(C)O.CC(C)O[C@H](CO)c1ccccc1.CC(C)SC(C)C.CC(C)c1cccn1C.COC(COC(C)C)c1ccccc1.CO[C@H](COC(C)C)c1ccccc1.Cc1ccc(C(C)C)o1.Cc1ccsc1C(C)C.Cc1csc(C(C)C)c1
InChIInChI=1S/2C12H18O2.2C11H16O2.C8H13N.C8H12O.2C8H12S.C7H16O2.C6H14S/c2*1-10(2)14-9-12(13-3)11-7-5-4-6-8-11;2*1-9(2)13-11(8-12)10-6-4-3-5-7-10;1-7(2)8-5-4-6-9(8)3;1-6(2)8-5-4-7(3)9-8;1-6(2)8-4-7(3)5-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)9-5-7(3,4)8;1-5(2)7-6(3)4/h2*4-8,10,12H,9H2,1-3H3;2*3-7,9,11-12H,8H2,1-2H3;4-7H,1-3H3;3*4-6H,1-3H3;6,8H,5H2,1-4H3;5-6H,1-4H3/t12-;;11-;;;;;;;/m1.1......./s1
InChIKeySWLOIERSPUCART-KRRUMUPGSA-N
XLogP24.83
TPSA143.37 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001527.37
LogP ≤ 524.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze [(1S)-1-methoxy-2-propan-2-yloxyethyl]benzene;(1-methoxy-2-propan-2-yloxyethyl)benzene;2-methyl-5-propan-2-ylfuran;2-methyl-1-propan-2-yloxypropan-2-ol;1-methyl-2-propan-2-ylpyrrole;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;2-phenyl-2-propan-2-yloxyethanol;(2S)-2-phenyl-2-propan-2-yloxyethanol;2-propan-2-ylsulfanylpropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-methoxy-2-propan-2-yloxyethyl]benzene;(1-methoxy-2-propan-2-yloxyethyl)benzene;2-methyl-5-propan-2-ylfuran;2-methyl-1-propan-2-yloxypropan-2-ol;1-methyl-2-propan-2-ylpyrrole;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;2-phenyl-2-propan-2-yloxyethanol;(2S)-2-phenyl-2-propan-2-yloxyethanol;2-propan-2-ylsulfanylpropane?
The IUPAC name of [(1S)-1-methoxy-2-propan-2-yloxyethyl]benzene;(1-methoxy-2-propan-2-yloxyethyl)benzene;2-methyl-5-propan-2-ylfuran;2-methyl-1-propan-2-yloxypropan-2-ol;1-methyl-2-propan-2-ylpyrrole;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;2-phenyl-2-propan-2-yloxyethanol;(2S)-2-phenyl-2-propan-2-yloxyethanol;2-propan-2-ylsulfanylpropane (CID 167667701) is [(1S)-1-methoxy-2-propan-2-yloxyethyl]benzene;(1-methoxy-2-propan-2-yloxyethyl)benzene;2-methyl-5-propan-2-ylfuran;2-methyl-1-propan-2-yloxypropan-2-ol;1-methyl-2-propan-2-ylpyrrole;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;2-phenyl-2-propan-2-yloxyethanol;(2S)-2-phenyl-2-propan-2-yloxyethanol;2-propan-2-ylsulfanylpropane.
What is the SMILES notation for [(1S)-1-methoxy-2-propan-2-yloxyethyl]benzene;(1-methoxy-2-propan-2-yloxyethyl)benzene;2-methyl-5-propan-2-ylfuran;2-methyl-1-propan-2-yloxypropan-2-ol;1-methyl-2-propan-2-ylpyrrole;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;2-phenyl-2-propan-2-yloxyethanol;(2S)-2-phenyl-2-propan-2-yloxyethanol;2-propan-2-ylsulfanylpropane?
The canonical SMILES for [(1S)-1-methoxy-2-propan-2-yloxyethyl]benzene;(1-methoxy-2-propan-2-yloxyethyl)benzene;2-methyl-5-propan-2-ylfuran;2-methyl-1-propan-2-yloxypropan-2-ol;1-methyl-2-propan-2-ylpyrrole;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;2-phenyl-2-propan-2-yloxyethanol;(2S)-2-phenyl-2-propan-2-yloxyethanol;2-propan-2-ylsulfanylpropane is CC(C)OC(CO)c1ccccc1.CC(C)OCC(C)(C)O.CC(C)O[C@H](CO)c1ccccc1.CC(C)SC(C)C.CC(C)c1cccn1C.COC(COC(C)C)c1ccccc1.CO[C@H](COC(C)C)c1ccccc1.Cc1ccc(C(C)C)o1.Cc1ccsc1C(C)C.Cc1csc(C(C)C)c1.
What is the InChIKey of [(1S)-1-methoxy-2-propan-2-yloxyethyl]benzene;(1-methoxy-2-propan-2-yloxyethyl)benzene;2-methyl-5-propan-2-ylfuran;2-methyl-1-propan-2-yloxypropan-2-ol;1-methyl-2-propan-2-ylpyrrole;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;2-phenyl-2-propan-2-yloxyethanol;(2S)-2-phenyl-2-propan-2-yloxyethanol;2-propan-2-ylsulfanylpropane?
The InChIKey is SWLOIERSPUCART-KRRUMUPGSA-N. The full InChI is InChI=1S/2C12H18O2.2C11H16O2.C8H13N.C8H12O.2C8H12S.C7H16O2.C6H14S/c2*1-10(2)14-9-12(13-3)11-7-5-4-6-8-11;2*1-9(2)13-11(8-12)10-6-4-3-5-7-10;1-7(2)8-5-4-6-9(8)3;1-6(2)8-5-4-7(3)9-8;1-6(2)8-4-7(3)5-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)9-5-7(3,4)8;1-5(2)7-6(3)4/h2*4-8,10,12H,9H2,1-3H3;2*3-7,9,11-12H,8H2,1-2H3;4-7H,1-3H3;3*4-6H,1-3H3;6,8H,5H2,1-4H3;5-6H,1-4H3/t12-;;11-;;;;;;;/m1.1......./s1.
What are the key properties of [(1S)-1-methoxy-2-propan-2-yloxyethyl]benzene;(1-methoxy-2-propan-2-yloxyethyl)benzene;2-methyl-5-propan-2-ylfuran;2-methyl-1-propan-2-yloxypropan-2-ol;1-methyl-2-propan-2-ylpyrrole;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;2-phenyl-2-propan-2-yloxyethanol;(2S)-2-phenyl-2-propan-2-yloxyethanol;2-propan-2-ylsulfanylpropane?
[(1S)-1-methoxy-2-propan-2-yloxyethyl]benzene;(1-methoxy-2-propan-2-yloxyethyl)benzene;2-methyl-5-propan-2-ylfuran;2-methyl-1-propan-2-yloxypropan-2-ol;1-methyl-2-propan-2-ylpyrrole;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;2-phenyl-2-propan-2-yloxyethanol;(2S)-2-phenyl-2-propan-2-yloxyethanol;2-propan-2-ylsulfanylpropane has a molecular weight of 1527.37 g/mol, XLogP of 24.83, 27 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-methoxy-2-propan-2-yloxyethyl]benzene;(1-methoxy-2-propan-2-yloxyethyl)benzene;2-methyl-5-propan-2-ylfuran;2-methyl-1-propan-2-yloxypropan-2-ol;1-methyl-2-propan-2-ylpyrrole;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;2-phenyl-2-propan-2-yloxyethanol;(2S)-2-phenyl-2-propan-2-yloxyethanol;2-propan-2-ylsulfanylpropane is sourced from PubChem (CID 167667701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).