(2,4-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone

C19H21NO4 — CID 658490

IUPAC(2,4-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(N3CCOCC3)cc2)c(OC)c1
InChIInChI=1S/C19H21NO4/c1-22-16-7-8-17(18(13-16)23-2)19(21)14-3-5-15(6-4-14)20-9-11-24-12-10-20/h3-8,13H,9-12H2,1-2H3
InChIKeyUZYJSOYGOYCCSO-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.77
Rot. Bonds5

About (2,4-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone

(2,4-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone (PubChem CID 658490) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
PubChem CID658490
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2,4-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(N3CCOCC3)cc2)c(OC)c1
InChIInChI=1S/C19H21NO4/c1-22-16-7-8-17(18(13-16)23-2)19(21)14-3-5-15(6-4-14)20-9-11-24-12-10-20/h3-8,13H,9-12H2,1-2H3
InChIKeyUZYJSOYGOYCCSO-UHFFFAOYSA-N
XLogP2.77
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone (CID 658490) is (2,4-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone is COc1ccc(C(=O)c2ccc(N3CCOCC3)cc2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone?
The InChIKey is UZYJSOYGOYCCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-22-16-7-8-17(18(13-16)23-2)19(21)14-3-5-15(6-4-14)20-9-11-24-12-10-20/h3-8,13H,9-12H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone?
(2,4-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone has a molecular weight of 327.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 658490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).