4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one

C16H23NO3 — CID 79467881

IUPAC4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one
SMILESCC(C)Cc1ccc(C(O)CN2CCOCC2=O)cc1
InChIInChI=1S/C16H23NO3/c1-12(2)9-13-3-5-14(6-4-13)15(18)10-17-7-8-20-11-16(17)19/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyZKOKBNNBJZKXPT-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.78
Rot. Bonds5

About 4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one

4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one (PubChem CID 79467881) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one
PubChem CID79467881
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one
SMILESCC(C)Cc1ccc(C(O)CN2CCOCC2=O)cc1
InChIInChI=1S/C16H23NO3/c1-12(2)9-13-3-5-14(6-4-13)15(18)10-17-7-8-20-11-16(17)19/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyZKOKBNNBJZKXPT-UHFFFAOYSA-N
XLogP1.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxy-2-phenylethyl)morpholin-3-one
CID 79469635
1-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-3-methylimidazolidin-2-one
CID 62490490
4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one
CID 115475838
4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one
CID 79468551
2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60981558
4-[2-(ethylamino)-2-(4-methylphenyl)ethyl]morpholin-3-one
CID 79468530
4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one
CID 79469491
N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 78874200
4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine
CID 175419722
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 121452302
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 115561346
4-(3-amino-2-phenylpropyl)morpholin-3-one
CID 79468237

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one?
The IUPAC name of 4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one (CID 79467881) is 4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one?
The canonical SMILES for 4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one is CC(C)Cc1ccc(C(O)CN2CCOCC2=O)cc1.
What is the InChIKey of 4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one?
The InChIKey is ZKOKBNNBJZKXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)9-13-3-5-14(6-4-13)15(18)10-17-7-8-20-11-16(17)19/h3-6,12,15,18H,7-11H2,1-2H3.
What are the key properties of 4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one?
4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one has a molecular weight of 277.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one is sourced from PubChem (CID 79467881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).