4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one

C25H29NO4 — CID 154363882

IUPAC4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one
SMILESCCOc1ccc(C(C=Cc2ccccc2)=CCC(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C25H29NO4/c1-3-30-23-13-11-22(19-24(23)28-2)21(10-9-20-7-5-4-6-8-20)12-14-25(27)26-15-17-29-18-16-26/h4-13,19H,3,14-18H2,1-2H3
InChIKeyFXKBCOVOTXAIMY-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.44
Rot. Bonds8

About 4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one

4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one (PubChem CID 154363882) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is 4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one.

Molecular Properties

Compound Name4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one
PubChem CID154363882
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Name4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one
SMILESCCOc1ccc(C(C=Cc2ccccc2)=CCC(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C25H29NO4/c1-3-30-23-13-11-22(19-24(23)28-2)21(10-9-20-7-5-4-6-8-20)12-14-25(27)26-15-17-29-18-16-26/h4-13,19H,3,14-18H2,1-2H3
InChIKeyFXKBCOVOTXAIMY-UHFFFAOYSA-N
XLogP4.44
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 18281736
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
N-(1-benzylpiperidin-4-yl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 4847857
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-phenylphenyl)benzamide
CID 4876101
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
(2,3-dimethoxyphenyl)methyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 24980785
3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one
CID 154364609
(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92997690
(3,4-diethoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 45109399
3-[3-bromo-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 171146647

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one?
The IUPAC name of 4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one (CID 154363882) is 4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one.
What is the SMILES notation for 4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one?
The canonical SMILES for 4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one is CCOc1ccc(C(C=Cc2ccccc2)=CCC(=O)N2CCOCC2)cc1OC.
What is the InChIKey of 4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one?
The InChIKey is FXKBCOVOTXAIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c1-3-30-23-13-11-22(19-24(23)28-2)21(10-9-20-7-5-4-6-8-20)12-14-25(27)26-15-17-29-18-16-26/h4-13,19H,3,14-18H2,1-2H3.
What are the key properties of 4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one?
4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one has a molecular weight of 407.51 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one is sourced from PubChem (CID 154363882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).