(E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one

C22H25NO3 — CID 101157228

IUPAC(E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCCCN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C22H25NO3/c24-22(20-5-2-1-3-6-20)12-9-19-7-10-21(11-8-19)26-16-4-13-23-14-17-25-18-15-23/h1-3,5-12H,4,13-18H2/b12-9+
InChIKeyMJKUSVCIBJYXFS-FMIVXFBMSA-N
MW351.45 g/mol
LogP3.68
Rot. Bonds8

About (E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one

(E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one (PubChem CID 101157228) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one
PubChem CID101157228
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name(E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCCCN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C22H25NO3/c24-22(20-5-2-1-3-6-20)12-9-19-7-10-21(11-8-19)26-16-4-13-23-14-17-25-18-15-23/h1-3,5-12H,4,13-18H2/b12-9+
InChIKeyMJKUSVCIBJYXFS-FMIVXFBMSA-N
XLogP3.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
CID 15086407
(E)-1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one;hydrochloride
CID 71812184
(E)-3-[4-[10-(4-methylpiperidin-1-yl)decoxy]phenyl]-1-phenylprop-2-en-1-one
CID 24874230
(Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one
CID 92531173
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070
(E)-1-[4-(difluoromethoxy)phenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19542949
1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714
(E)-1-(2-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19567083
(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 170877328
3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one
CID 50742117
(E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19566862
methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 89092566

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one (CID 101157228) is (E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one is O=C(/C=C/c1ccc(OCCCN2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of (E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one?
The InChIKey is MJKUSVCIBJYXFS-FMIVXFBMSA-N. The full InChI is InChI=1S/C22H25NO3/c24-22(20-5-2-1-3-6-20)12-9-19-7-10-21(11-8-19)26-16-4-13-23-14-17-25-18-15-23/h1-3,5-12H,4,13-18H2/b12-9+.
What are the key properties of (E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one?
(E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one has a molecular weight of 351.45 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 101157228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).