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

C29H29NO5 — CID 118734146

IUPAC(3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one
SMILESO=C1/C(=C/c2ccc(OCCN3CCOCC3)cc2)COc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C29H29NO5/c31-29-24(18-22-6-8-25(9-7-22)33-17-14-30-12-15-32-16-13-30)21-35-28-19-26(10-11-27(28)29)34-20-23-4-2-1-3-5-23/h1-11,18-19H,12-17,20-21H2/b24-18+
InChIKeySRZIZYMZFGGWKM-HKOYGPOVSA-N
MW471.55 g/mol
LogP4.64
Rot. Bonds8

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

(3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one (PubChem CID 118734146) has the molecular formula C29H29NO5 and a molecular weight of 471.55 g/mol. Its IUPAC name is (3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name(3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one
PubChem CID118734146
Molecular FormulaC29H29NO5
Molecular Weight471.55 g/mol
Exact Mass471.20
IUPAC Name(3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one
SMILESO=C1/C(=C/c2ccc(OCCN3CCOCC3)cc2)COc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C29H29NO5/c31-29-24(18-22-6-8-25(9-7-22)33-17-14-30-12-15-32-16-13-30)21-35-28-19-26(10-11-27(28)29)34-20-23-4-2-1-3-5-23/h1-11,18-19H,12-17,20-21H2/b24-18+
InChIKeySRZIZYMZFGGWKM-HKOYGPOVSA-N
XLogP4.64
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 54.64
H-Bond Donors ≤ 50
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-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride
CID 118734147
(3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one
CID 118734124
3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one
CID 74603716
(3E)-7-ethoxy-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylidene]chromen-4-one;hydrochloride
CID 118734143
(2E,5E)-2,5-bis[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]cyclopentan-1-one
CID 71518525
4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine
CID 130178723
4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid
CID 68727410
3-[4-[(Z)-(4-oxochromen-3-ylidene)methyl]phenoxy]propanoic acid
CID 94132512
methyl 4-[[4-[(4-oxochromen-3-ylidene)methyl]phenoxy]methyl]benzoate
CID 5092070
(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6444482
(2E,6E)-2,6-bis[[4-(4-morpholin-4-ylbutoxy)phenyl]methylidene]cyclohexan-1-one
CID 71518857
(2Z,6E)-4-methyl-2,6-bis[(4-phenylmethoxyphenyl)methylidene]cyclohexan-1-one
CID 17386127

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one?
The IUPAC name of (3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one (CID 118734146) is (3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one.
What is the SMILES notation for (3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one?
The canonical SMILES for (3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one is O=C1/C(=C/c2ccc(OCCN3CCOCC3)cc2)COc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of (3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one?
The InChIKey is SRZIZYMZFGGWKM-HKOYGPOVSA-N. The full InChI is InChI=1S/C29H29NO5/c31-29-24(18-22-6-8-25(9-7-22)33-17-14-30-12-15-32-16-13-30)21-35-28-19-26(10-11-27(28)29)34-20-23-4-2-1-3-5-23/h1-11,18-19H,12-17,20-21H2/b24-18+.
What are the key properties of (3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one?
(3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one has a molecular weight of 471.55 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 118734146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).