(E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one

C21H23NO4 — CID 6032438

IUPAC(E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccccc2O)cc1CN1CCOCC1
InChIInChI=1S/C21H23NO4/c1-25-21-9-7-16(14-17(21)15-22-10-12-26-13-11-22)6-8-20(24)18-4-2-3-5-19(18)23/h2-9,14,23H,10-13,15H2,1H3/b8-6+
InChIKeyFGCVVMXCLXQQCS-SOFGYWHQSA-N
MW353.42 g/mol
LogP3.13
Rot. Bonds6

About (E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one

(E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one (PubChem CID 6032438) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one
PubChem CID6032438
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccccc2O)cc1CN1CCOCC1
InChIInChI=1S/C21H23NO4/c1-25-21-9-7-16(14-17(21)15-22-10-12-26-13-11-22)6-8-20(24)18-4-2-3-5-19(18)23/h2-9,14,23H,10-13,15H2,1H3/b8-6+
InChIKeyFGCVVMXCLXQQCS-SOFGYWHQSA-N
XLogP3.13
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one (CID 6032438) is (E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2ccccc2O)cc1CN1CCOCC1.
What is the InChIKey of (E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one?
The InChIKey is FGCVVMXCLXQQCS-SOFGYWHQSA-N. The full InChI is InChI=1S/C21H23NO4/c1-25-21-9-7-16(14-17(21)15-22-10-12-26-13-11-22)6-8-20(24)18-4-2-3-5-19(18)23/h2-9,14,23H,10-13,15H2,1H3/b8-6+.
What are the key properties of (E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one?
(E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one has a molecular weight of 353.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 6032438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).