3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol

C16H25NO4 — CID 106100739

IUPAC3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
SMILESCCc1ccc(OCC(O)CNCC2(O)CCOC2)cc1
InChIInChI=1S/C16H25NO4/c1-2-13-3-5-15(6-4-13)21-10-14(18)9-17-11-16(19)7-8-20-12-16/h3-6,14,17-19H,2,7-12H2,1H3
InChIKeyBCFSTIHSONFLGE-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.73
Rot. Bonds8

About 3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol

3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol (PubChem CID 106100739) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
PubChem CID106100739
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
SMILESCCc1ccc(OCC(O)CNCC2(O)CCOC2)cc1
InChIInChI=1S/C16H25NO4/c1-2-13-3-5-15(6-4-13)21-10-14(18)9-17-11-16(19)7-8-20-12-16/h3-6,14,17-19H,2,7-12H2,1H3
InChIKeyBCFSTIHSONFLGE-UHFFFAOYSA-N
XLogP0.73
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100759
3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol
CID 106100735
4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol
CID 81131042
3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100411
1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 61039219
4-[(4-ethylphenoxy)methyl]oxan-4-ol
CID 126703265
4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64911209
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 111106413
1-(4-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021074
3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100524
(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39356436

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol (CID 106100739) is 3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol is CCc1ccc(OCC(O)CNCC2(O)CCOC2)cc1.
What is the InChIKey of 3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol?
The InChIKey is BCFSTIHSONFLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-2-13-3-5-15(6-4-13)21-10-14(18)9-17-11-16(19)7-8-20-12-16/h3-6,14,17-19H,2,7-12H2,1H3.
What are the key properties of 3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol?
3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol has a molecular weight of 295.38 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).