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

C22H26O6 — CID 68789075

IUPAC1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one
SMILESCC(O)COc1ccc(Cc2ccc(OCC(C)O)cc2)cc1.O=C1C=CO1
InChIInChI=1S/C19H24O4.C3H2O2/c1-14(20)12-22-18-7-3-16(4-8-18)11-17-5-9-19(10-6-17)23-13-15(2)21;4-3-1-2-5-3/h3-10,14-15,20-21H,11-13H2,1-2H3;1-2H
InChIKeySWJHFYYCZYSSCN-UHFFFAOYSA-N
MW386.44 g/mol
LogP2.85
Rot. Bonds8

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

1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one (PubChem CID 68789075) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is 1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one.

Molecular Properties

Compound Name1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one
PubChem CID68789075
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one
SMILESCC(O)COc1ccc(Cc2ccc(OCC(C)O)cc2)cc1.O=C1C=CO1
InChIInChI=1S/C19H24O4.C3H2O2/c1-14(20)12-22-18-7-3-16(4-8-18)11-17-5-9-19(10-6-17)23-13-15(2)21;4-3-1-2-5-3/h3-10,14-15,20-21H,11-13H2,1-2H3;1-2H
InChIKeySWJHFYYCZYSSCN-UHFFFAOYSA-N
XLogP2.85
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one?
The IUPAC name of 1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one (CID 68789075) is 1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one.
What is the SMILES notation for 1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one?
The canonical SMILES for 1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one is CC(O)COc1ccc(Cc2ccc(OCC(C)O)cc2)cc1.O=C1C=CO1.
What is the InChIKey of 1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one?
The InChIKey is SWJHFYYCZYSSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4.C3H2O2/c1-14(20)12-22-18-7-3-16(4-8-18)11-17-5-9-19(10-6-17)23-13-15(2)21;4-3-1-2-5-3/h3-10,14-15,20-21H,11-13H2,1-2H3;1-2H.
What are the key properties of 1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one?
1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one has a molecular weight of 386.44 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one is sourced from PubChem (CID 68789075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).