2-methoxy-2-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one

C20H23NO3 — CID 163406149

IUPAC2-methoxy-2-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one
SMILESCOC(C)(C(=O)c1ccc(-c2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C20H23NO3/c1-20(23-2,21-12-14-24-15-13-21)19(22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3
InChIKeyYIDSIQMJVKBEPQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.23
Rot. Bonds5

About 2-methoxy-2-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one

2-methoxy-2-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one (PubChem CID 163406149) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-methoxy-2-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-2-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one
PubChem CID163406149
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-methoxy-2-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one
SMILESCOC(C)(C(=O)c1ccc(-c2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C20H23NO3/c1-20(23-2,21-12-14-24-15-13-21)19(22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3
InChIKeyYIDSIQMJVKBEPQ-UHFFFAOYSA-N
XLogP3.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one?
The IUPAC name of 2-methoxy-2-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one (CID 163406149) is 2-methoxy-2-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 2-methoxy-2-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 2-methoxy-2-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one is COC(C)(C(=O)c1ccc(-c2ccccc2)cc1)N1CCOCC1.
What is the InChIKey of 2-methoxy-2-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one?
The InChIKey is YIDSIQMJVKBEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(23-2,21-12-14-24-15-13-21)19(22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3.
What are the key properties of 2-methoxy-2-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one?
2-methoxy-2-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one has a molecular weight of 325.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 163406149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).