1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine

C27H39NO4S — CID 161445896

IUPAC1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine
SMILESCC(C)C(=O)c1ccc(OCCO)cc1.CSc1ccc(CC(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C15H23NOS.C12H16O3/c1-15(2,16-8-10-17-11-9-16)12-13-4-6-14(18-3)7-5-13;1-9(2)12(14)10-3-5-11(6-4-10)15-8-7-13/h4-7H,8-12H2,1-3H3;3-6,9,13H,7-8H2,1-2H3
InChIKeyVZWQBBKGZKVYHJ-UHFFFAOYSA-N
MW473.68 g/mol
LogP4.96
Rot. Bonds9

About 1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine

1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine (PubChem CID 161445896) has the molecular formula C27H39NO4S and a molecular weight of 473.68 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine
PubChem CID161445896
Molecular FormulaC27H39NO4S
Molecular Weight473.68 g/mol
Exact Mass473.26
IUPAC Name1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine
SMILESCC(C)C(=O)c1ccc(OCCO)cc1.CSc1ccc(CC(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C15H23NOS.C12H16O3/c1-15(2,16-8-10-17-11-9-16)12-13-4-6-14(18-3)7-5-13;1-9(2)12(14)10-3-5-11(6-4-10)15-8-7-13/h4-7H,8-12H2,1-3H3;3-6,9,13H,7-8H2,1-2H3
InChIKeyVZWQBBKGZKVYHJ-UHFFFAOYSA-N
XLogP4.96
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.68
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 129155311
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
3-[4-(2-hydroxyethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropanal
CID 57043827
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19867019
2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one
CID 15702405
1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866996
1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-piperidin-1-ylpropan-1-one
CID 129155328
4-(4-bromophenyl)-2-(dimethylamino)-3-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one
CID 150543074
2-methyl-3-(4-methylsulfanylphenyl)-2-morpholin-4-yl-3-oxopropanal
CID 18671064
4-[1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-2-yl]piperazine-1-carboxylic acid
CID 175102651
2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one
CID 18728748
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine?
The IUPAC name of 1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine (CID 161445896) is 1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine is CC(C)C(=O)c1ccc(OCCO)cc1.CSc1ccc(CC(C)(C)N2CCOCC2)cc1.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine?
The InChIKey is VZWQBBKGZKVYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS.C12H16O3/c1-15(2,16-8-10-17-11-9-16)12-13-4-6-14(18-3)7-5-13;1-9(2)12(14)10-3-5-11(6-4-10)15-8-7-13/h4-7H,8-12H2,1-3H3;3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine?
1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine has a molecular weight of 473.68 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine is sourced from PubChem (CID 161445896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).