4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol

C15H25NO5 — CID 106246755

IUPAC4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCC(O)COc1ccccc1OC
InChIInChI=1S/C15H25NO5/c1-19-10-12(17)7-8-16-9-13(18)11-21-15-6-4-3-5-14(15)20-2/h3-6,12-13,16-18H,7-11H2,1-2H3
InChIKeyYALVJZTXHSVELX-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.42
Rot. Bonds11

About 4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol

4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol (PubChem CID 106246755) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
PubChem CID106246755
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCC(O)COc1ccccc1OC
InChIInChI=1S/C15H25NO5/c1-19-10-12(17)7-8-16-9-13(18)11-21-15-6-4-3-5-14(15)20-2/h3-6,12-13,16-18H,7-11H2,1-2H3
InChIKeyYALVJZTXHSVELX-UHFFFAOYSA-N
XLogP0.42
TPSA80.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965784
4-methoxy-1-(2-methoxyphenoxy)butan-2-ol
CID 117236738
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol
CID 125487777
1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616905
1-(3-benzhydryloxypropylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 110194017
(2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 39366264
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide
CID 60901229
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 63296623
1-methoxy-4-(2-phenylpropylamino)butan-2-ol
CID 107095218
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol
CID 107152431
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 2585

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol (CID 106246755) is 4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol is COCC(O)CCNCC(O)COc1ccccc1OC.
What is the InChIKey of 4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol?
The InChIKey is YALVJZTXHSVELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-19-10-12(17)7-8-16-9-13(18)11-21-15-6-4-3-5-14(15)20-2/h3-6,12-13,16-18H,7-11H2,1-2H3.
What are the key properties of 4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol?
4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol has a molecular weight of 299.37 g/mol, XLogP of 0.42, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106246755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).