1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone

C14H18ClNO4 — CID 81204171

IUPAC1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESCOc1ccc(C(=O)CN2CCOC(CO)C2)cc1Cl
InChIInChI=1S/C14H18ClNO4/c1-19-14-3-2-10(6-12(14)15)13(18)8-16-4-5-20-11(7-16)9-17/h2-3,6,11,17H,4-5,7-9H2,1H3
InChIKeyDRVCMAXKYPCWKG-UHFFFAOYSA-N
MW299.75 g/mol
LogP1.22
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone

1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone (PubChem CID 81204171) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
PubChem CID81204171
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESCOc1ccc(C(=O)CN2CCOC(CO)C2)cc1Cl
InChIInChI=1S/C14H18ClNO4/c1-19-14-3-2-10(6-12(14)15)13(18)8-16-4-5-20-11(7-16)9-17/h2-3,6,11,17H,4-5,7-9H2,1H3
InChIKeyDRVCMAXKYPCWKG-UHFFFAOYSA-N
XLogP1.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81205009
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81204174
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796611
1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
CID 81204973
1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102933524
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 60680385
1-(3-fluoro-4-methoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62972902
1-(3-chloro-4-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432505
4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoic acid
CID 81205300
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone (CID 81204171) is 1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone is COc1ccc(C(=O)CN2CCOC(CO)C2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The InChIKey is DRVCMAXKYPCWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-19-14-3-2-10(6-12(14)15)13(18)8-16-4-5-20-11(7-16)9-17/h2-3,6,11,17H,4-5,7-9H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone has a molecular weight of 299.75 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 81204171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).