3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one

C22H27NO6 — CID 16746416

IUPAC3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCOCC2)c2c(O)cc(OC)cc2OC)cc1
InChIInChI=1S/C22H27NO6/c1-26-16-6-4-15(5-7-16)18(14-21(25)23-8-10-29-11-9-23)22-19(24)12-17(27-2)13-20(22)28-3/h4-7,12-13,18,24H,8-11,14H2,1-3H3
InChIKeyRSBVRVXJLUSBFF-UHFFFAOYSA-N
MW401.46 g/mol
LogP2.80
Rot. Bonds7

About 3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one

3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one (PubChem CID 16746416) has the molecular formula C22H27NO6 and a molecular weight of 401.46 g/mol. Its IUPAC name is 3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
PubChem CID16746416
Molecular FormulaC22H27NO6
Molecular Weight401.46 g/mol
Exact Mass401.18
IUPAC Name3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCOCC2)c2c(O)cc(OC)cc2OC)cc1
InChIInChI=1S/C22H27NO6/c1-26-16-6-4-15(5-7-16)18(14-21(25)23-8-10-29-11-9-23)22-19(24)12-17(27-2)13-20(22)28-3/h4-7,12-13,18,24H,8-11,14H2,1-3H3
InChIKeyRSBVRVXJLUSBFF-UHFFFAOYSA-N
XLogP2.80
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one (CID 16746416) is 3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one is COc1ccc(C(CC(=O)N2CCOCC2)c2c(O)cc(OC)cc2OC)cc1.
What is the InChIKey of 3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is RSBVRVXJLUSBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO6/c1-26-16-6-4-15(5-7-16)18(14-21(25)23-8-10-29-11-9-23)22-19(24)12-17(27-2)13-20(22)28-3/h4-7,12-13,18,24H,8-11,14H2,1-3H3.
What are the key properties of 3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one?
3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 401.46 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 16746416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).