5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol

C12H17NO4 — CID 12556410

IUPAC5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol
SMILESOc1cc(O)cc(C(O)CN2CCOCC2)c1
InChIInChI=1S/C12H17NO4/c14-10-5-9(6-11(15)7-10)12(16)8-13-1-3-17-4-2-13/h5-7,12,14-16H,1-4,8H2
InChIKeyGKIFHSXRXUIDRO-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.46
Rot. Bonds3

About 5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol

5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol (PubChem CID 12556410) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol
PubChem CID12556410
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol
SMILESOc1cc(O)cc(C(O)CN2CCOCC2)c1
InChIInChI=1S/C12H17NO4/c14-10-5-9(6-11(15)7-10)12(16)8-13-1-3-17-4-2-13/h5-7,12,14-16H,1-4,8H2
InChIKeyGKIFHSXRXUIDRO-UHFFFAOYSA-N
XLogP0.46
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol?
The IUPAC name of 5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol (CID 12556410) is 5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol.
What is the SMILES notation for 5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol?
The canonical SMILES for 5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol is Oc1cc(O)cc(C(O)CN2CCOCC2)c1.
What is the InChIKey of 5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol?
The InChIKey is GKIFHSXRXUIDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c14-10-5-9(6-11(15)7-10)12(16)8-13-1-3-17-4-2-13/h5-7,12,14-16H,1-4,8H2.
What are the key properties of 5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol?
5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol has a molecular weight of 239.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol is sourced from PubChem (CID 12556410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).