2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone

C19H19ClN2O4 — CID 126243345

IUPAC2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc(/C=N/c2ccc(Cl)cc2O)cc1)N1CCOCC1
InChIInChI=1S/C19H19ClN2O4/c20-15-3-6-17(18(23)11-15)21-12-14-1-4-16(5-2-14)26-13-19(24)22-7-9-25-10-8-22/h1-6,11-12,23H,7-10,13H2/b21-12+
InChIKeyHTDWUARWSXOOMH-CIAFOILYSA-N
MW374.82 g/mol
LogP3.03
Rot. Bonds5

About 2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone

2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 126243345) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID126243345
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc(/C=N/c2ccc(Cl)cc2O)cc1)N1CCOCC1
InChIInChI=1S/C19H19ClN2O4/c20-15-3-6-17(18(23)11-15)21-12-14-1-4-16(5-2-14)26-13-19(24)22-7-9-25-10-8-22/h1-6,11-12,23H,7-10,13H2/b21-12+
InChIKeyHTDWUARWSXOOMH-CIAFOILYSA-N
XLogP3.03
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126253048
2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 5173161
3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid
CID 126245308
2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126246748
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone
CID 126243299
5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol
CID 126146571
2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126246659
N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
CID 126027677
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enamide
CID 126236564
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone (CID 126243345) is 2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone is O=C(COc1ccc(/C=N/c2ccc(Cl)cc2O)cc1)N1CCOCC1.
What is the InChIKey of 2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is HTDWUARWSXOOMH-CIAFOILYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c20-15-3-6-17(18(23)11-15)21-12-14-1-4-16(5-2-14)26-13-19(24)22-7-9-25-10-8-22/h1-6,11-12,23H,7-10,13H2/b21-12+.
What are the key properties of 2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 374.82 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 126243345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).