1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone

C14H18ClNO3 — CID 79171911

IUPAC1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(Cl)ccc1OCC1CN(C)CCO1
InChIInChI=1S/C14H18ClNO3/c1-10(17)13-7-11(15)3-4-14(13)19-9-12-8-16(2)5-6-18-12/h3-4,7,12H,5-6,8-9H2,1-2H3
InChIKeyIHIRZTMYPWHUEO-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.25
Rot. Bonds4

About 1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone

1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone (PubChem CID 79171911) has the molecular formula C14H18ClNO3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone
PubChem CID79171911
Molecular FormulaC14H18ClNO3
Molecular Weight283.76 g/mol
Exact Mass283.10
IUPAC Name1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(Cl)ccc1OCC1CN(C)CCO1
InChIInChI=1S/C14H18ClNO3/c1-10(17)13-7-11(15)3-4-14(13)19-9-12-8-16(2)5-6-18-12/h3-4,7,12H,5-6,8-9H2,1-2H3
InChIKeyIHIRZTMYPWHUEO-UHFFFAOYSA-N
XLogP2.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine
CID 58005244
N-[[3-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-3-oxopropyl]sulfanylmethyl]acetamide
CID 3846118
3-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholine-4-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 3857598
ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate
CID 106955980
5-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholine-4-carbonyl]-2-chlorobenzenesulfonamide
CID 3528098
1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 3865987
4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one
CID 74228135
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
CID 79182676
2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
CID 114264381
[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 107690789
3-chloro-4-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 79172491

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone (CID 79171911) is 1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone is CC(=O)c1cc(Cl)ccc1OCC1CN(C)CCO1.
What is the InChIKey of 1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone?
The InChIKey is IHIRZTMYPWHUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10(17)13-7-11(15)3-4-14(13)19-9-12-8-16(2)5-6-18-12/h3-4,7,12H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone?
1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone has a molecular weight of 283.76 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 79171911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).