(E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(furan-2-yl)prop-2-en-1-one

C20H23NO5 — CID 44578594

IUPAC(E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(furan-2-yl)prop-2-en-1-one
SMILESCCOc1cc(O)c(C(=O)/C=C/c2ccco2)cc1CN1CCOCC1
InChIInChI=1S/C20H23NO5/c1-2-25-20-13-19(23)17(18(22)6-5-16-4-3-9-26-16)12-15(20)14-21-7-10-24-11-8-21/h3-6,9,12-13,23H,2,7-8,10-11,14H2,1H3/b6-5+
InChIKeyFOHOKHRIFMFYIC-AATRIKPKSA-N
MW357.41 g/mol
LogP3.11
Rot. Bonds7

About (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(furan-2-yl)prop-2-en-1-one

(E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 44578594) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(furan-2-yl)prop-2-en-1-one
PubChem CID44578594
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(furan-2-yl)prop-2-en-1-one
SMILESCCOc1cc(O)c(C(=O)/C=C/c2ccco2)cc1CN1CCOCC1
InChIInChI=1S/C20H23NO5/c1-2-25-20-13-19(23)17(18(22)6-5-16-4-3-9-26-16)12-15(20)14-21-7-10-24-11-8-21/h3-6,9,12-13,23H,2,7-8,10-11,14H2,1H3/b6-5+
InChIKeyFOHOKHRIFMFYIC-AATRIKPKSA-N
XLogP3.11
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.11
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)-3-(2-chlorophenyl)-1-[4-ethoxy-2-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]prop-2-en-1-one
CID 44599167
(E)-3-(2,4-dichlorophenyl)-1-[4-ethoxy-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]prop-2-en-1-one
CID 44600770
(E)-1-[4-ethoxy-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 44600925
2-(4-ethoxy-3-methoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 71962860
3-ethoxy-4-(morpholin-4-ylmethyl)benzamide
CID 68978840
2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate
CID 797064
1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 5219870
(Z)-3-(furan-2-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 97456575
2-(4-ethoxy-3-methoxyphenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 110276618
3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide
CID 91939208
(E)-3-(2,4-dichlorophenyl)-1-[4-ethoxy-2-hydroxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]prop-2-en-1-one
CID 44598993
(E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide
CID 2054544

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(furan-2-yl)prop-2-en-1-one (CID 44578594) is (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(furan-2-yl)prop-2-en-1-one is CCOc1cc(O)c(C(=O)/C=C/c2ccco2)cc1CN1CCOCC1.
What is the InChIKey of (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is FOHOKHRIFMFYIC-AATRIKPKSA-N. The full InChI is InChI=1S/C20H23NO5/c1-2-25-20-13-19(23)17(18(22)6-5-16-4-3-9-26-16)12-15(20)14-21-7-10-24-11-8-21/h3-6,9,12-13,23H,2,7-8,10-11,14H2,1H3/b6-5+.
What are the key properties of (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(furan-2-yl)prop-2-en-1-one?
(E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 357.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 44578594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).