2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanol

C8H17NO3 — CID 102934988

IUPAC2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanol
SMILESCC1CN(CCO)CC(CO)O1
InChIInChI=1S/C8H17NO3/c1-7-4-9(2-3-10)5-8(6-11)12-7/h7-8,10-11H,2-6H2,1H3
InChIKeyKVVHVYWKRWQEGE-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.94
Rot. Bonds3

About 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanol

2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanol (PubChem CID 102934988) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanol
PubChem CID102934988
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanol
SMILESCC1CN(CCO)CC(CO)O1
InChIInChI=1S/C8H17NO3/c1-7-4-9(2-3-10)5-8(6-11)12-7/h7-8,10-11H,2-6H2,1H3
InChIKeyKVVHVYWKRWQEGE-UHFFFAOYSA-N
XLogP-0.94
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanol?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanol (CID 102934988) is 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanol.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanol?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanol is CC1CN(CCO)CC(CO)O1.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanol?
The InChIKey is KVVHVYWKRWQEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-7-4-9(2-3-10)5-8(6-11)12-7/h7-8,10-11H,2-6H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanol?
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanol has a molecular weight of 175.23 g/mol, XLogP of -0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanol is sourced from PubChem (CID 102934988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).