2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one

C15H20ClNO4 — CID 62074940

IUPAC2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1ccc(Cl)cc1C(C)O)C(=O)N1CCOCC1
InChIInChI=1S/C15H20ClNO4/c1-10(18)13-9-12(16)3-4-14(13)21-11(2)15(19)17-5-7-20-8-6-17/h3-4,9-11,18H,5-8H2,1-2H3
InChIKeyZEFVZBUDIRTXRM-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.02
Rot. Bonds4

About 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one

2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one (PubChem CID 62074940) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
PubChem CID62074940
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1ccc(Cl)cc1C(C)O)C(=O)N1CCOCC1
InChIInChI=1S/C15H20ClNO4/c1-10(18)13-9-12(16)3-4-14(13)21-11(2)15(19)17-5-7-20-8-6-17/h3-4,9-11,18H,5-8H2,1-2H3
InChIKeyZEFVZBUDIRTXRM-UHFFFAOYSA-N
XLogP2.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-hydroxyethyl)-4-methylphenoxy]-1-morpholin-4-ylpropan-1-one
CID 43505242
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 78931421
2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylethanone
CID 62074602
(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 95165980
2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid
CID 11990630
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid
CID 43084682
2-(2-amino-4-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43116101
2-[4-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43503667
3-bromo-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde
CID 60643504

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one (CID 62074940) is 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one is CC(Oc1ccc(Cl)cc1C(C)O)C(=O)N1CCOCC1.
What is the InChIKey of 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one?
The InChIKey is ZEFVZBUDIRTXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-10(18)13-9-12(16)3-4-14(13)21-11(2)15(19)17-5-7-20-8-6-17/h3-4,9-11,18H,5-8H2,1-2H3.
What are the key properties of 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one?
2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one has a molecular weight of 313.78 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 62074940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).