4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol

C13H19NO4 — CID 11971899

IUPAC4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol
SMILESCC(C(O)c1ccc(O)c(O)c1)N1CCOCC1
InChIInChI=1S/C13H19NO4/c1-9(14-4-6-18-7-5-14)13(17)10-2-3-11(15)12(16)8-10/h2-3,8-9,13,15-17H,4-7H2,1H3
InChIKeyRUVMXBYZZIZZEK-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.85
Rot. Bonds3

About 4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol

4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol (PubChem CID 11971899) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol
PubChem CID11971899
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol
SMILESCC(C(O)c1ccc(O)c(O)c1)N1CCOCC1
InChIInChI=1S/C13H19NO4/c1-9(14-4-6-18-7-5-14)13(17)10-2-3-11(15)12(16)8-10/h2-3,8-9,13,15-17H,4-7H2,1H3
InChIKeyRUVMXBYZZIZZEK-UHFFFAOYSA-N
XLogP0.85
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol
CID 177420176
4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol
CID 16782087
6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 11011781
[(1S,2S)-1-(3,4-dihydroxyphenyl)-1-hydroxypropan-2-yl]azanium
CID 6919631
1-[1-(3-fluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
CID 73195170
4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol
CID 110183923
methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate
CID 70351176
4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol
CID 82263328
(1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol
CID 101454375
1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine
CID 91515805
4-(1-amino-2-methylpropyl)benzene-1,2-diol
CID 55283190
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol?
The IUPAC name of 4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol (CID 11971899) is 4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol.
What is the SMILES notation for 4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol?
The canonical SMILES for 4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol is CC(C(O)c1ccc(O)c(O)c1)N1CCOCC1.
What is the InChIKey of 4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol?
The InChIKey is RUVMXBYZZIZZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(14-4-6-18-7-5-14)13(17)10-2-3-11(15)12(16)8-10/h2-3,8-9,13,15-17H,4-7H2,1H3.
What are the key properties of 4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol?
4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol has a molecular weight of 253.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol is sourced from PubChem (CID 11971899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).