3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol

C18H23NO6 — CID 14815710

IUPAC3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol
SMILESOc1cccc(OCCCNCCCOc2cccc(O)c2O)c1O
InChIInChI=1S/C18H23NO6/c20-13-5-1-7-15(17(13)22)24-11-3-9-19-10-4-12-25-16-8-2-6-14(21)18(16)23/h1-2,5-8,19-23H,3-4,9-12H2
InChIKeyUJSYYVFPJRKQLK-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.34
Rot. Bonds10

About 3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol

3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol (PubChem CID 14815710) has the molecular formula C18H23NO6 and a molecular weight of 349.38 g/mol. Its IUPAC name is 3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol.

Molecular Properties

Compound Name3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol
PubChem CID14815710
Molecular FormulaC18H23NO6
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Name3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol
SMILESOc1cccc(OCCCNCCCOc2cccc(O)c2O)c1O
InChIInChI=1S/C18H23NO6/c20-13-5-1-7-15(17(13)22)24-11-3-9-19-10-4-12-25-16-8-2-6-14(21)18(16)23/h1-2,5-8,19-23H,3-4,9-12H2
InChIKeyUJSYYVFPJRKQLK-UHFFFAOYSA-N
XLogP2.34
TPSA111.41 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-tetradecoxybenzene-1,2-diol
CID 152769078
2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
CID 2249838
ethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol
CID 143846527
2-amino-6-[2-(methylamino)ethoxy]phenol
CID 58657538
2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol
CID 39260375
2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride
CID 71297106
2,6-di(nonoxy)phenol
CID 22024876
2,6-diheptoxyphenol
CID 57426104
N-[3-(2,3-dichlorophenoxy)propyl]butan-1-amine
CID 2248430
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661
2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol
CID 174709972
3-[(3-ethoxypropylamino)methyl]benzene-1,2-diol
CID 61319480

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol?
The IUPAC name of 3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol (CID 14815710) is 3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol.
What is the SMILES notation for 3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol?
The canonical SMILES for 3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol is Oc1cccc(OCCCNCCCOc2cccc(O)c2O)c1O.
What is the InChIKey of 3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol?
The InChIKey is UJSYYVFPJRKQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6/c20-13-5-1-7-15(17(13)22)24-11-3-9-19-10-4-12-25-16-8-2-6-14(21)18(16)23/h1-2,5-8,19-23H,3-4,9-12H2.
What are the key properties of 3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol?
3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol has a molecular weight of 349.38 g/mol, XLogP of 2.34, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol is sourced from PubChem (CID 14815710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).