4-morpholin-4-ylbutane-1,3-diol

C8H17NO3 — CID 56679802

IUPAC4-morpholin-4-ylbutane-1,3-diol
SMILESOCCC(O)CN1CCOCC1
InChIInChI=1S/C8H17NO3/c10-4-1-8(11)7-9-2-5-12-6-3-9/h8,10-11H,1-7H2
InChIKeyCFOHHMITBKLUEM-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.94
Rot. Bonds4

About 4-morpholin-4-ylbutane-1,3-diol

4-morpholin-4-ylbutane-1,3-diol (PubChem CID 56679802) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-morpholin-4-ylbutane-1,3-diol.

Molecular Properties

Compound Name4-morpholin-4-ylbutane-1,3-diol
PubChem CID56679802
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name4-morpholin-4-ylbutane-1,3-diol
SMILESOCCC(O)CN1CCOCC1
InChIInChI=1S/C8H17NO3/c10-4-1-8(11)7-9-2-5-12-6-3-9/h8,10-11H,1-7H2
InChIKeyCFOHHMITBKLUEM-UHFFFAOYSA-N
XLogP-0.94
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylbutane-1,3-diol?
The IUPAC name of 4-morpholin-4-ylbutane-1,3-diol (CID 56679802) is 4-morpholin-4-ylbutane-1,3-diol.
What is the SMILES notation for 4-morpholin-4-ylbutane-1,3-diol?
The canonical SMILES for 4-morpholin-4-ylbutane-1,3-diol is OCCC(O)CN1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylbutane-1,3-diol?
The InChIKey is CFOHHMITBKLUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c10-4-1-8(11)7-9-2-5-12-6-3-9/h8,10-11H,1-7H2.
What are the key properties of 4-morpholin-4-ylbutane-1,3-diol?
4-morpholin-4-ylbutane-1,3-diol has a molecular weight of 175.23 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylbutane-1,3-diol is sourced from PubChem (CID 56679802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).