3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol

C15H23NO4 — CID 106100735

IUPAC3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol
SMILESCc1cccc(OCC(O)CNCC2(O)CCOC2)c1
InChIInChI=1S/C15H23NO4/c1-12-3-2-4-14(7-12)20-9-13(17)8-16-10-15(18)5-6-19-11-15/h2-4,7,13,16-18H,5-6,8-11H2,1H3
InChIKeyZLQIMZCJEWCMJW-UHFFFAOYSA-N
MW281.35 g/mol
LogP0.48
Rot. Bonds7

About 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol

3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol (PubChem CID 106100735) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol
PubChem CID106100735
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol
SMILESCc1cccc(OCC(O)CNCC2(O)CCOC2)c1
InChIInChI=1S/C15H23NO4/c1-12-3-2-4-14(7-12)20-9-13(17)8-16-10-15(18)5-6-19-11-15/h2-4,7,13,16-18H,5-6,8-11H2,1H3
InChIKeyZLQIMZCJEWCMJW-UHFFFAOYSA-N
XLogP0.48
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100739
3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100759
4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol
CID 81131042
1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
CID 104760727
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol
CID 106285812
1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021165
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632284
3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100524
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61039860
3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol
CID 103904871

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol (CID 106100735) is 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol is Cc1cccc(OCC(O)CNCC2(O)CCOC2)c1.
What is the InChIKey of 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol?
The InChIKey is ZLQIMZCJEWCMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-12-3-2-4-14(7-12)20-9-13(17)8-16-10-15(18)5-6-19-11-15/h2-4,7,13,16-18H,5-6,8-11H2,1H3.
What are the key properties of 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol?
3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol has a molecular weight of 281.35 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).