1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol

C22H30O3 — CID 134419560

IUPAC1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(C(C)(C)c2ccc(OC(C)(C)C)cc2)cc1
InChIInChI=1S/C22H30O3/c1-16(23)15-24-19-11-7-17(8-12-19)22(5,6)18-9-13-20(14-10-18)25-21(2,3)4/h7-14,16,23H,15H2,1-6H3
InChIKeyULXAZDFYFPLRLO-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.95
Rot. Bonds6

About 1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol

1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol (PubChem CID 134419560) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
PubChem CID134419560
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Name1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(C(C)(C)c2ccc(OC(C)(C)C)cc2)cc1
InChIInChI=1S/C22H30O3/c1-16(23)15-24-19-11-7-17(8-12-19)22(5,6)18-9-13-20(14-10-18)25-21(2,3)4/h7-14,16,23H,15H2,1-6H3
InChIKeyULXAZDFYFPLRLO-UHFFFAOYSA-N
XLogP4.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol with MolForge

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Related Compounds

1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol
CID 121279067
1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 58991188
1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 20685097
1-[4-[1-[4-(2-hydroxypropoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]propan-2-ol
CID 57097261
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
1-[4-(chloromethyl)phenoxy]propan-2-ol
CID 134374781
[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl] 2-methylpentanoate
CID 145094437
actinium;3-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol
CID 59110852
1-fluoro-3-[4-[2-[4-(2-hydroxy-3-phosphanylpropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 143919875
4-hydroxy-5-[4-[2-[4-(2-hydroxy-4-oxopentoxy)phenyl]propan-2-yl]phenoxy]pentan-2-one
CID 22981470
1,3-bis[4-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 20661045

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol?
The IUPAC name of 1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol (CID 134419560) is 1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol is CC(O)COc1ccc(C(C)(C)c2ccc(OC(C)(C)C)cc2)cc1.
What is the InChIKey of 1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol?
The InChIKey is ULXAZDFYFPLRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3/c1-16(23)15-24-19-11-7-17(8-12-19)22(5,6)18-9-13-20(14-10-18)25-21(2,3)4/h7-14,16,23H,15H2,1-6H3.
What are the key properties of 1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol?
1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol has a molecular weight of 342.48 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 134419560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).