1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one

C22H27NO4 — CID 19866876

IUPAC1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(OCC(O)c2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C22H27NO4/c1-22(2,23-12-14-26-15-13-23)21(25)18-8-10-19(11-9-18)27-16-20(24)17-6-4-3-5-7-17/h3-11,20,24H,12-16H2,1-2H3
InChIKeyWPYSEWVFEKFYTB-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.09
Rot. Bonds7

About 1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one

1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 19866876) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID19866876
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(OCC(O)c2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C22H27NO4/c1-22(2,23-12-14-26-15-13-23)21(25)18-8-10-19(11-9-18)27-16-20(24)17-6-4-3-5-7-17/h3-11,20,24H,12-16H2,1-2H3
InChIKeyWPYSEWVFEKFYTB-UHFFFAOYSA-N
XLogP3.09
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866996
2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one
CID 18728748
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19867019
2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one
CID 19879538
1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 129155311
1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane
CID 157392457
2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one
CID 18728755
1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19867028
2,2-diethoxy-1-phenylethanone;2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
CID 159791694
2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one
CID 18755073
1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866835

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one (CID 19866876) is 1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one is CC(C)(C(=O)c1ccc(OCC(O)c2ccccc2)cc1)N1CCOCC1.
What is the InChIKey of 1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is WPYSEWVFEKFYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-22(2,23-12-14-26-15-13-23)21(25)18-8-10-19(11-9-18)27-16-20(24)17-6-4-3-5-7-17/h3-11,20,24H,12-16H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 369.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 19866876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).