1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol

C21H28O3 — CID 121279067

IUPAC1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(C(C)(C)c2ccc(OCC(C)O)cc2)cc1
InChIInChI=1S/C21H28O3/c1-5-20(23)16-6-8-17(9-7-16)21(3,4)18-10-12-19(13-11-18)24-14-15(2)22/h6-13,15,20,22-23H,5,14H2,1-4H3
InChIKeyJNFYZHWWLVGJIY-UHFFFAOYSA-N
MW328.45 g/mol
LogP4.22
Rot. Bonds7

About 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol

1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol (PubChem CID 121279067) has the molecular formula C21H28O3 and a molecular weight of 328.45 g/mol. Its IUPAC name is 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol
PubChem CID121279067
Molecular FormulaC21H28O3
Molecular Weight328.45 g/mol
Exact Mass328.20
IUPAC Name1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(C(C)(C)c2ccc(OCC(C)O)cc2)cc1
InChIInChI=1S/C21H28O3/c1-5-20(23)16-6-8-17(9-7-16)21(3,4)18-10-12-19(13-11-18)24-14-15(2)22/h6-13,15,20,22-23H,5,14H2,1-4H3
InChIKeyJNFYZHWWLVGJIY-UHFFFAOYSA-N
XLogP4.22
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 134419560
1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol
CID 60887102
1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 58991188
1-[4-(1-hydroxypropyl)phenoxy]-2-methylpropan-2-ol
CID 60883807
(1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol
CID 55189541
1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 20685097
1-[4-[(1S)-1-aminopropyl]phenoxy]propan-2-ol
CID 63367838
1-[4-(1-aminopropyl)phenoxy]propan-2-ol
CID 60880327
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
1-[4-(1-hydroxypropyl)phenoxy]-2-methylbutan-2-ol
CID 114494418
ethane;1-[4-[2-[4-(2-hydroxy-3-propan-2-yloxypropoxy)phenyl]propan-2-yl]phenoxy]butan-2-ol
CID 143919845
1-(4-butoxyphenyl)propan-1-ol
CID 19979001

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol?
The IUPAC name of 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol (CID 121279067) is 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol?
The canonical SMILES for 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol is CCC(O)c1ccc(C(C)(C)c2ccc(OCC(C)O)cc2)cc1.
What is the InChIKey of 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol?
The InChIKey is JNFYZHWWLVGJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O3/c1-5-20(23)16-6-8-17(9-7-16)21(3,4)18-10-12-19(13-11-18)24-14-15(2)22/h6-13,15,20,22-23H,5,14H2,1-4H3.
What are the key properties of 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol?
1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol has a molecular weight of 328.45 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol is sourced from PubChem (CID 121279067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).