4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one

C15H21NO3 — CID 117009566

IUPAC4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one
SMILESCC(C)(C)c1ccc(N2C(=O)COCC2CO)cc1
InChIInChI=1S/C15H21NO3/c1-15(2,3)11-4-6-12(7-5-11)16-13(8-17)9-19-10-14(16)18/h4-7,13,17H,8-10H2,1-3H3
InChIKeyAOLQQAJKQHJVEP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.71
Rot. Bonds2

About 4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one

4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one (PubChem CID 117009566) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one
PubChem CID117009566
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one
SMILESCC(C)(C)c1ccc(N2C(=O)COCC2CO)cc1
InChIInChI=1S/C15H21NO3/c1-15(2,3)11-4-6-12(7-5-11)16-13(8-17)9-19-10-14(16)18/h4-7,13,17H,8-10H2,1-3H3
InChIKeyAOLQQAJKQHJVEP-UHFFFAOYSA-N
XLogP1.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one 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

4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009573
5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one
CID 115060503
4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009582
4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102785
5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 115102815
5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one
CID 115060512
4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102818
1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one
CID 70667423
6-(hydroxymethyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-4-one
CID 164875999
3-(4-tert-butylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011629
4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102805
3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid
CID 115060537

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one?
The IUPAC name of 4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one (CID 117009566) is 4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one.
What is the SMILES notation for 4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one?
The canonical SMILES for 4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one is CC(C)(C)c1ccc(N2C(=O)COCC2CO)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one?
The InChIKey is AOLQQAJKQHJVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,3)11-4-6-12(7-5-11)16-13(8-17)9-19-10-14(16)18/h4-7,13,17H,8-10H2,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one?
4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one has a molecular weight of 263.34 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one is sourced from PubChem (CID 117009566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).