4-morpholin-2-ylbenzene-1,2-diol

C10H13NO3 — CID 3042920

IUPAC4-morpholin-2-ylbenzene-1,2-diol
SMILESOc1ccc(C2CNCCO2)cc1O
InChIInChI=1S/C10H13NO3/c12-8-2-1-7(5-9(8)13)10-6-11-3-4-14-10/h1-2,5,10-13H,3-4,6H2
InChIKeyGYJRRQRGZZEHEB-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.76
Rot. Bonds1

About 4-morpholin-2-ylbenzene-1,2-diol

4-morpholin-2-ylbenzene-1,2-diol (PubChem CID 3042920) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-morpholin-2-ylbenzene-1,2-diol.

Molecular Properties

Compound Name4-morpholin-2-ylbenzene-1,2-diol
PubChem CID3042920
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-morpholin-2-ylbenzene-1,2-diol
SMILESOc1ccc(C2CNCCO2)cc1O
InChIInChI=1S/C10H13NO3/c12-8-2-1-7(5-9(8)13)10-6-11-3-4-14-10/h1-2,5,10-13H,3-4,6H2
InChIKeyGYJRRQRGZZEHEB-UHFFFAOYSA-N
XLogP0.76
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-2-ylbenzene-1,2-diol?
The IUPAC name of 4-morpholin-2-ylbenzene-1,2-diol (CID 3042920) is 4-morpholin-2-ylbenzene-1,2-diol.
What is the SMILES notation for 4-morpholin-2-ylbenzene-1,2-diol?
The canonical SMILES for 4-morpholin-2-ylbenzene-1,2-diol is Oc1ccc(C2CNCCO2)cc1O.
What is the InChIKey of 4-morpholin-2-ylbenzene-1,2-diol?
The InChIKey is GYJRRQRGZZEHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-8-2-1-7(5-9(8)13)10-6-11-3-4-14-10/h1-2,5,10-13H,3-4,6H2.
What are the key properties of 4-morpholin-2-ylbenzene-1,2-diol?
4-morpholin-2-ylbenzene-1,2-diol has a molecular weight of 195.22 g/mol, XLogP of 0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-2-ylbenzene-1,2-diol is sourced from PubChem (CID 3042920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).