(3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one

C22H23NO5 — CID 118734124

IUPAC(3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one
SMILESO=C1/C(=C/c2ccc(OCCN3CCOCC3)cc2)COc2cc(O)ccc21
InChIInChI=1S/C22H23NO5/c24-18-3-6-20-21(14-18)28-15-17(22(20)25)13-16-1-4-19(5-2-16)27-12-9-23-7-10-26-11-8-23/h1-6,13-14,24H,7-12,15H2/b17-13+
InChIKeyVRGYVGIDVVJINA-GHRIWEEISA-N
MW381.43 g/mol
LogP2.76
Rot. Bonds5

About (3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one

(3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one (PubChem CID 118734124) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is (3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one.

Molecular Properties

Compound Name(3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one
PubChem CID118734124
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name(3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one
SMILESO=C1/C(=C/c2ccc(OCCN3CCOCC3)cc2)COc2cc(O)ccc21
InChIInChI=1S/C22H23NO5/c24-18-3-6-20-21(14-18)28-15-17(22(20)25)13-16-1-4-19(5-2-16)27-12-9-23-7-10-26-11-8-23/h1-6,13-14,24H,7-12,15H2/b17-13+
InChIKeyVRGYVGIDVVJINA-GHRIWEEISA-N
XLogP2.76
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one
CID 118734146
(3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride
CID 118734147
3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one
CID 74603716
(2E,5E)-2,5-bis[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]cyclopentan-1-one
CID 71518525
(3E)-7-ethoxy-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylidene]chromen-4-one;hydrochloride
CID 118734143
(3E)-7-hydroxy-3-[(3,4,5-trihydroxyphenyl)methylidene]chromen-4-one
CID 12000523
(2E,6E)-2,6-bis[[4-(4-morpholin-4-ylbutoxy)phenyl]methylidene]cyclohexan-1-one
CID 71518857
3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol
CID 74047256
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6444482
3-[4-[(Z)-(4-oxochromen-3-ylidene)methyl]phenoxy]propanoic acid
CID 94132512
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070

Frequently Asked Questions

What is the IUPAC name of (3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one?
The IUPAC name of (3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one (CID 118734124) is (3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one.
What is the SMILES notation for (3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one?
The canonical SMILES for (3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one is O=C1/C(=C/c2ccc(OCCN3CCOCC3)cc2)COc2cc(O)ccc21.
What is the InChIKey of (3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one?
The InChIKey is VRGYVGIDVVJINA-GHRIWEEISA-N. The full InChI is InChI=1S/C22H23NO5/c24-18-3-6-20-21(14-18)28-15-17(22(20)25)13-16-1-4-19(5-2-16)27-12-9-23-7-10-26-11-8-23/h1-6,13-14,24H,7-12,15H2/b17-13+.
What are the key properties of (3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one?
(3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one has a molecular weight of 381.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one is sourced from PubChem (CID 118734124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).