3-[(4-hydroxyphenyl)methyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-one

C15H21NO4 — CID 129239433

IUPAC3-[(4-hydroxyphenyl)methyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-one
SMILESCC(O)CN1CC(C)OC(=O)C1Cc1ccc(O)cc1
InChIInChI=1S/C15H21NO4/c1-10(17)8-16-9-11(2)20-15(19)14(16)7-12-3-5-13(18)6-4-12/h3-6,10-11,14,17-18H,7-9H2,1-2H3
InChIKeyGODNVZMNUQSFAQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.93
Rot. Bonds4

About 3-[(4-hydroxyphenyl)methyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-one

3-[(4-hydroxyphenyl)methyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-one (PubChem CID 129239433) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-one.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-one
PubChem CID129239433
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-[(4-hydroxyphenyl)methyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-one
SMILESCC(O)CN1CC(C)OC(=O)C1Cc1ccc(O)cc1
InChIInChI=1S/C15H21NO4/c1-10(17)8-16-9-11(2)20-15(19)14(16)7-12-3-5-13(18)6-4-12/h3-6,10-11,14,17-18H,7-9H2,1-2H3
InChIKeyGODNVZMNUQSFAQ-UHFFFAOYSA-N
XLogP0.93
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-hydroxyphenyl)methyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-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

(6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one
CID 147652973
6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane
CID 161061669
3-(4-hydroxyphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 105446773
(3S,6S,9aR)-2-acetyl-3-[(4-hydroxyphenyl)methyl]-8-(3-methylbutyl)-6-(2-methylpropyl)-3,6,9,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-4,7-dione
CID 164590156
5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione
CID 139010350
3-hydroxy-1-(4-hydroxyphenyl)butan-2-one
CID 66599101
4-[2-(2,5-dimethylmorpholin-4-yl)propyl]phenol
CID 82977941
(3S,6R,9S,12R,15S,18R,21S,24R)-6,18-bis[[4-(furan-2-ylmethoxy)phenyl]methyl]-4,10,12,16,22,24-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,14,17,20-hexone
CID 59879178
6,18-bis[[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]methyl]-4,10,12,16,22,24-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,14,17,20-hexone
CID 22628896
3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one
CID 19437330
(3S,4R)-3-[(3S)-4-(4-hydroxyphenyl)-3-methyl-2-oxobutyl]-4-methyloxetan-2-one
CID 160690757
4-[[(2S)-1-(2-methylpropyl)piperazin-2-yl]methyl]phenol
CID 100995336

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-one?
The IUPAC name of 3-[(4-hydroxyphenyl)methyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-one (CID 129239433) is 3-[(4-hydroxyphenyl)methyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-one.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-one?
The canonical SMILES for 3-[(4-hydroxyphenyl)methyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-one is CC(O)CN1CC(C)OC(=O)C1Cc1ccc(O)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-one?
The InChIKey is GODNVZMNUQSFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(17)8-16-9-11(2)20-15(19)14(16)7-12-3-5-13(18)6-4-12/h3-6,10-11,14,17-18H,7-9H2,1-2H3.
What are the key properties of 3-[(4-hydroxyphenyl)methyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-one?
3-[(4-hydroxyphenyl)methyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-one has a molecular weight of 279.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methyl]-4-(2-hydroxypropyl)-6-methylmorpholin-2-one is sourced from PubChem (CID 129239433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).