7-hydroxy-2-[(4-morpholin-4-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one

C21H21NO3 — CID 175569033

IUPAC7-hydroxy-2-[(4-morpholin-4-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESO=C1C(=Cc2ccc(N3CCOCC3)cc2)CCc2ccc(O)cc21
InChIInChI=1S/C21H21NO3/c23-19-8-5-16-3-4-17(21(24)20(16)14-19)13-15-1-6-18(7-2-15)22-9-11-25-12-10-22/h1-2,5-8,13-14,23H,3-4,9-12H2
InChIKeyFSIYLCAEHNKGII-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.44
Rot. Bonds2

About 7-hydroxy-2-[(4-morpholin-4-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one

7-hydroxy-2-[(4-morpholin-4-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 175569033) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 7-hydroxy-2-[(4-morpholin-4-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name7-hydroxy-2-[(4-morpholin-4-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
PubChem CID175569033
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name7-hydroxy-2-[(4-morpholin-4-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESO=C1C(=Cc2ccc(N3CCOCC3)cc2)CCc2ccc(O)cc21
InChIInChI=1S/C21H21NO3/c23-19-8-5-16-3-4-17(21(24)20(16)14-19)13-15-1-6-18(7-2-15)22-9-11-25-12-10-22/h1-2,5-8,13-14,23H,3-4,9-12H2
InChIKeyFSIYLCAEHNKGII-UHFFFAOYSA-N
XLogP3.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 72684500
2,6-bis[(4-morpholin-4-ylphenyl)methylidene]cyclohexan-1-one
CID 4536428
(2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 5468147
(2E)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 11595033
(2E)-6-ethoxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
CID 178159399
(6E)-6-[[4-(4-methylpiperazin-1-yl)phenyl]methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one
CID 171349206
7-[(4-chlorophenyl)methylidene]-8-oxo-5,6-dihydronaphthalene-2-carboxylic acid
CID 175422904
(7E)-7-[(4-methylphenyl)methylidene]-8-oxo-5,6-dihydronaphthalene-2-carboxylic acid
CID 163214099
3,5-bis[(4-morpholin-4-ylphenyl)methylidene]-1-propan-2-ylpiperidin-4-one
CID 5018916
6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one
CID 174901660
2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-3,4-dihydronaphthalen-1-one
CID 54086101
4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 914052

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-[(4-morpholin-4-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The IUPAC name of 7-hydroxy-2-[(4-morpholin-4-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one (CID 175569033) is 7-hydroxy-2-[(4-morpholin-4-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 7-hydroxy-2-[(4-morpholin-4-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 7-hydroxy-2-[(4-morpholin-4-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one is O=C1C(=Cc2ccc(N3CCOCC3)cc2)CCc2ccc(O)cc21.
What is the InChIKey of 7-hydroxy-2-[(4-morpholin-4-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The InChIKey is FSIYLCAEHNKGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-19-8-5-16-3-4-17(21(24)20(16)14-19)13-15-1-6-18(7-2-15)22-9-11-25-12-10-22/h1-2,5-8,13-14,23H,3-4,9-12H2.
What are the key properties of 7-hydroxy-2-[(4-morpholin-4-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
7-hydroxy-2-[(4-morpholin-4-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 335.40 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-[(4-morpholin-4-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 175569033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).