4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol

C11H17NO4 — CID 11481559

IUPAC4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol
SMILESOCCNCC(O)COc1ccc(O)cc1
InChIInChI=1S/C11H17NO4/c13-6-5-12-7-10(15)8-16-11-3-1-9(14)2-4-11/h1-4,10,12-15H,5-8H2
InChIKeyHBSWFRNRKNWCFP-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.29
Rot. Bonds7

About 4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol

4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol (PubChem CID 11481559) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol.

Molecular Properties

Compound Name4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol
PubChem CID11481559
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol
SMILESOCCNCC(O)COc1ccc(O)cc1
InChIInChI=1S/C11H17NO4/c13-6-5-12-7-10(15)8-16-11-3-1-9(14)2-4-11/h1-4,10,12-15H,5-8H2
InChIKeyHBSWFRNRKNWCFP-UHFFFAOYSA-N
XLogP-0.29
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol
CID 118334706
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
CID 12541329
1-[3-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropoxy]-4-hydroxybenzene
CID 12681869
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851729
4-[(2S)-2-hydroxy-3-(3-hydroxypropylamino)propoxy]benzonitrile
CID 93381167
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol;oxalic acid
CID 12541330
1-(3-hydroxypropylamino)-3-(4-thiophen-3-ylphenoxy)propan-2-ol
CID 10425344
1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 60632924
1-[2-(2-hydroxyethoxy)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60633049
4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol
CID 12681876
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol?
The IUPAC name of 4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol (CID 11481559) is 4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol.
What is the SMILES notation for 4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol?
The canonical SMILES for 4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol is OCCNCC(O)COc1ccc(O)cc1.
What is the InChIKey of 4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol?
The InChIKey is HBSWFRNRKNWCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-6-5-12-7-10(15)8-16-11-3-1-9(14)2-4-11/h1-4,10,12-15H,5-8H2.
What are the key properties of 4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol?
4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol has a molecular weight of 227.26 g/mol, XLogP of -0.29, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol is sourced from PubChem (CID 11481559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).