3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol

C19H25NO5 — CID 145484707

IUPAC3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
SMILESNC(CO)COc1ccc(Cc2ccc(OCC(O)CO)cc2)cc1
InChIInChI=1S/C19H25NO5/c20-16(10-21)12-24-18-5-1-14(2-6-18)9-15-3-7-19(8-4-15)25-13-17(23)11-22/h1-8,16-17,21-23H,9-13,20H2
InChIKeyAXRZSTOWEXEMFA-UHFFFAOYSA-N
MW347.41 g/mol
LogP0.71
Rot. Bonds10

About 3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol

3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol (PubChem CID 145484707) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is 3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
PubChem CID145484707
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
SMILESNC(CO)COc1ccc(Cc2ccc(OCC(O)CO)cc2)cc1
InChIInChI=1S/C19H25NO5/c20-16(10-21)12-24-18-5-1-14(2-6-18)9-15-3-7-19(8-4-15)25-13-17(23)11-22/h1-8,16-17,21-23H,9-13,20H2
InChIKeyAXRZSTOWEXEMFA-UHFFFAOYSA-N
XLogP0.71
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[[4-(3-hydroxy-2-methylpropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
CID 70897892
(2S)-1-amino-3-[4-[[4-[(2S)-3-amino-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 34178474
2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide
CID 572441
1-[4-[[4-(2-hydroxybutoxy)phenyl]methyl]phenoxy]butan-2-ol
CID 59871731
(2R)-3-(4-pentadecylphenoxy)propane-1,2-diol
CID 95907091
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
1-(2-aminopropylamino)-3-[4-[[4-[3-(2-aminopropylamino)-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 126581078
1-[4-[[4-(3-chloro-2-hydroxypropoxy)phenyl]methyl]phenoxy]butan-2-ol;ethane
CID 143919870
actinium;3-phenoxypropane-1,2-diol
CID 22981458
3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol
CID 139630943
1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 159194222

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol?
The IUPAC name of 3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol (CID 145484707) is 3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol is NC(CO)COc1ccc(Cc2ccc(OCC(O)CO)cc2)cc1.
What is the InChIKey of 3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol?
The InChIKey is AXRZSTOWEXEMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c20-16(10-21)12-24-18-5-1-14(2-6-18)9-15-3-7-19(8-4-15)25-13-17(23)11-22/h1-8,16-17,21-23H,9-13,20H2.
What are the key properties of 3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol?
3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol has a molecular weight of 347.41 g/mol, XLogP of 0.71, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol is sourced from PubChem (CID 145484707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).