2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone

C14H18ClNO4 — CID 78931421

IUPAC2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESC[C@H](O)c1cc(Cl)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C14H18ClNO4/c1-10(17)12-8-11(15)2-3-13(12)20-9-14(18)16-4-6-19-7-5-16/h2-3,8,10,17H,4-7,9H2,1H3/t10-/m0/s1
InChIKeyPHXLMCFGCBUZHL-JTQLQIEISA-N
MW299.75 g/mol
LogP1.63
Rot. Bonds4

About 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone

2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 78931421) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID78931421
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESC[C@H](O)c1cc(Cl)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C14H18ClNO4/c1-10(17)12-8-11(15)2-3-13(12)20-9-14(18)16-4-6-19-7-5-16/h2-3,8,10,17H,4-7,9H2,1H3/t10-/m0/s1
InChIKeyPHXLMCFGCBUZHL-JTQLQIEISA-N
XLogP1.63
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylethanone
CID 62074602
1-(azepan-1-yl)-2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]ethanone
CID 63364408
1-(azepan-1-yl)-2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]ethanone
CID 78933520
2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 62074940
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 63365946
2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 107720138
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 78932602
5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-propylbenzenesulfonamide
CID 5306904
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylethanone
CID 78930986
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylethanone
CID 63365992
N-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 17436689

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone (CID 78931421) is 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone is C[C@H](O)c1cc(Cl)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is PHXLMCFGCBUZHL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-10(17)12-8-11(15)2-3-13(12)20-9-14(18)16-4-6-19-7-5-16/h2-3,8,10,17H,4-7,9H2,1H3/t10-/m0/s1.
What are the key properties of 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone?
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 299.75 g/mol, XLogP of 1.63, 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-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 78931421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).