(6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one

C19H20BrNO4 — CID 67352581

IUPAC(6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one
SMILESCOc1ccc(CN2C[C@@H](c3ccc(Br)cc3)OCC2=O)c(OC)c1
InChIInChI=1S/C19H20BrNO4/c1-23-16-8-5-14(17(9-16)24-2)10-21-11-18(25-12-19(21)22)13-3-6-15(20)7-4-13/h3-9,18H,10-12H2,1-2H3/t18-/m0/s1
InChIKeyPCDPFWRTMUNJKK-SFHVURJKSA-N
MW406.28 g/mol
LogP3.57
Rot. Bonds5

About (6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one

(6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one (PubChem CID 67352581) has the molecular formula C19H20BrNO4 and a molecular weight of 406.28 g/mol. Its IUPAC name is (6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name(6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one
PubChem CID67352581
Molecular FormulaC19H20BrNO4
Molecular Weight406.28 g/mol
Exact Mass405.06
IUPAC Name(6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one
SMILESCOc1ccc(CN2C[C@@H](c3ccc(Br)cc3)OCC2=O)c(OC)c1
InChIInChI=1S/C19H20BrNO4/c1-23-16-8-5-14(17(9-16)24-2)10-21-11-18(25-12-19(21)22)13-3-6-15(20)7-4-13/h3-9,18H,10-12H2,1-2H3/t18-/m0/s1
InChIKeyPCDPFWRTMUNJKK-SFHVURJKSA-N
XLogP3.57
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2R)-4-[(2,4-dimethoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl] benzenesulfonate;[2-[(2R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl] benzenesulfonate
CID 87700214
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
(6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one
CID 67354355
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97032922
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83290643
2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 77271449
4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine
CID 77271766
7-bromo-4-[(2,5-dimethoxyphenyl)methyl]-5H-1,4-benzoxazepin-3-one
CID 53152601
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
6-(4-chloro-3-methoxyphenyl)-4-propylmorpholin-3-one
CID 57440705
4-[(2,4-dimethoxyphenyl)methyl]-3-(4-nitrophenyl)-5-oxomorpholine-2-carboxylic acid
CID 174188144

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one?
The IUPAC name of (6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one (CID 67352581) is (6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one.
What is the SMILES notation for (6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one?
The canonical SMILES for (6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one is COc1ccc(CN2C[C@@H](c3ccc(Br)cc3)OCC2=O)c(OC)c1.
What is the InChIKey of (6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one?
The InChIKey is PCDPFWRTMUNJKK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20BrNO4/c1-23-16-8-5-14(17(9-16)24-2)10-21-11-18(25-12-19(21)22)13-3-6-15(20)7-4-13/h3-9,18H,10-12H2,1-2H3/t18-/m0/s1.
What are the key properties of (6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one?
(6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one has a molecular weight of 406.28 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one is sourced from PubChem (CID 67352581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).