1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one

C21H24O7 — CID 68788196

IUPAC1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one
SMILESCC(O)COc1ccc(Oc2ccc(OCC(C)O)cc2)cc1.O=C1C=CO1
InChIInChI=1S/C18H22O5.C3H2O2/c1-13(19)11-21-15-3-7-17(8-4-15)23-18-9-5-16(6-10-18)22-12-14(2)20;4-3-1-2-5-3/h3-10,13-14,19-20H,11-12H2,1-2H3;1-2H
InChIKeyIEAAIXXRRGBJEF-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.06
Rot. Bonds8

About 1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one

1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one (PubChem CID 68788196) has the molecular formula C21H24O7 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one.

Molecular Properties

Compound Name1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one
PubChem CID68788196
Molecular FormulaC21H24O7
Molecular Weight388.42 g/mol
Exact Mass388.15
IUPAC Name1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one
SMILESCC(O)COc1ccc(Oc2ccc(OCC(C)O)cc2)cc1.O=C1C=CO1
InChIInChI=1S/C18H22O5.C3H2O2/c1-13(19)11-21-15-3-7-17(8-4-15)23-18-9-5-16(6-10-18)22-12-14(2)20;4-3-1-2-5-3/h3-10,13-14,19-20H,11-12H2,1-2H3;1-2H
InChIKeyIEAAIXXRRGBJEF-UHFFFAOYSA-N
XLogP3.06
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one
CID 68789075
1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one
CID 68788216
1-(4-pyridin-4-yloxyphenoxy)propan-2-ol
CID 19982181
1-(4-iodophenoxy)propan-2-ol
CID 65277775
1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol
CID 161419834
1-[4-(chloromethyl)phenoxy]propan-2-ol
CID 134374781
ethane;1-phenoxypropan-2-ol
CID 90926921
acetic acid;1-phenoxypropan-2-ol
CID 68567525
bis[4-(2-hydroxypropoxy)phenyl]-dimethylazanium;methane
CID 161004546
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one
CID 66648781
1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 159356219

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one?
The IUPAC name of 1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one (CID 68788196) is 1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one.
What is the SMILES notation for 1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one?
The canonical SMILES for 1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one is CC(O)COc1ccc(Oc2ccc(OCC(C)O)cc2)cc1.O=C1C=CO1.
What is the InChIKey of 1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one?
The InChIKey is IEAAIXXRRGBJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O5.C3H2O2/c1-13(19)11-21-15-3-7-17(8-4-15)23-18-9-5-16(6-10-18)22-12-14(2)20;4-3-1-2-5-3/h3-10,13-14,19-20H,11-12H2,1-2H3;1-2H.
What are the key properties of 1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one?
1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one has a molecular weight of 388.42 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one is sourced from PubChem (CID 68788196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).