(E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one

C22H25NO5 — CID 19566862

IUPAC(E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
SMILESCOc1cc(C(=O)/C=C/c2ccc(OCCN3CCOCC3)cc2)ccc1O
InChIInChI=1S/C22H25NO5/c1-26-22-16-18(5-9-21(22)25)20(24)8-4-17-2-6-19(7-3-17)28-15-12-23-10-13-27-14-11-23/h2-9,16,25H,10-15H2,1H3/b8-4+
InChIKeyWSZLSDOAQFWZAU-XBXARRHUSA-N
MW383.44 g/mol
LogP3.01
Rot. Bonds8

About (E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one

(E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one (PubChem CID 19566862) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is (E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
PubChem CID19566862
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name(E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
SMILESCOc1cc(C(=O)/C=C/c2ccc(OCCN3CCOCC3)cc2)ccc1O
InChIInChI=1S/C22H25NO5/c1-26-22-16-18(5-9-21(22)25)20(24)8-4-17-2-6-19(7-3-17)28-15-12-23-10-13-27-14-11-23/h2-9,16,25H,10-15H2,1H3/b8-4+
InChIKeyWSZLSDOAQFWZAU-XBXARRHUSA-N
XLogP3.01
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.01
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

(E)-1-(2-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19567083
(E)-1-(4-hydroxy-3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one
CID 9448589
(E)-1-[4-(difluoromethoxy)phenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19542949
methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 89092566
1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070
(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 170877328
(E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one
CID 101157228
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
CID 15086407
(E)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19567216
(1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-[4-(methylamino)-3-(3-morpholin-4-ylpropoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 153255337
(E)-3-(3,4-dimethoxyphenyl)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one
CID 8830206

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one (CID 19566862) is (E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one is COc1cc(C(=O)/C=C/c2ccc(OCCN3CCOCC3)cc2)ccc1O.
What is the InChIKey of (E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one?
The InChIKey is WSZLSDOAQFWZAU-XBXARRHUSA-N. The full InChI is InChI=1S/C22H25NO5/c1-26-22-16-18(5-9-21(22)25)20(24)8-4-17-2-6-19(7-3-17)28-15-12-23-10-13-27-14-11-23/h2-9,16,25H,10-15H2,1H3/b8-4+.
What are the key properties of (E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one?
(E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one has a molecular weight of 383.44 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one is sourced from PubChem (CID 19566862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).