(3S)-5-methoxy-3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one

C15H19NO4 — CID 155934480

IUPAC(3S)-5-methoxy-3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one
SMILESCOc1ccc2c(c1)[C@@](C)(CN1CCOCC1)OC2=O
InChIInChI=1S/C15H19NO4/c1-15(10-16-5-7-19-8-6-16)13-9-11(18-2)3-4-12(13)14(17)20-15/h3-4,9H,5-8,10H2,1-2H3/t15-/m1/s1
InChIKeyZCTHWITVJUBSHD-OAHLLOKOSA-N
MW277.32 g/mol
LogP1.41
Rot. Bonds3

About (3S)-5-methoxy-3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one

(3S)-5-methoxy-3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one (PubChem CID 155934480) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3S)-5-methoxy-3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one.

Molecular Properties

Compound Name(3S)-5-methoxy-3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one
PubChem CID155934480
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(3S)-5-methoxy-3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one
SMILESCOc1ccc2c(c1)[C@@](C)(CN1CCOCC1)OC2=O
InChIInChI=1S/C15H19NO4/c1-15(10-16-5-7-19-8-6-16)13-9-11(18-2)3-4-12(13)14(17)20-15/h3-4,9H,5-8,10H2,1-2H3/t15-/m1/s1
InChIKeyZCTHWITVJUBSHD-OAHLLOKOSA-N
XLogP1.41
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methoxy-2-morpholin-4-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 42801011
4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456823
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 3727459
5-methoxy-3-[2-(6-morpholin-4-ylhexylsulfanyl)ethyl]-3H-2-benzofuran-1-one
CID 139747383
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one
CID 67043666
(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one
CID 95219686
1-[(2-fluorophenyl)methyl]-7-methoxy-3-(morpholin-4-ylmethyl)quinolin-2-one
CID 26320725
4-[2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]morpholine
CID 113073742
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 138655842

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methoxy-3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one?
The IUPAC name of (3S)-5-methoxy-3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one (CID 155934480) is (3S)-5-methoxy-3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one.
What is the SMILES notation for (3S)-5-methoxy-3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one?
The canonical SMILES for (3S)-5-methoxy-3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one is COc1ccc2c(c1)[C@@](C)(CN1CCOCC1)OC2=O.
What is the InChIKey of (3S)-5-methoxy-3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one?
The InChIKey is ZCTHWITVJUBSHD-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(10-16-5-7-19-8-6-16)13-9-11(18-2)3-4-12(13)14(17)20-15/h3-4,9H,5-8,10H2,1-2H3/t15-/m1/s1.
What are the key properties of (3S)-5-methoxy-3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one?
(3S)-5-methoxy-3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one has a molecular weight of 277.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methoxy-3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one is sourced from PubChem (CID 155934480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).