2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone

C13H16ClNO4 — CID 112612580

IUPAC2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
SMILESO=C(COc1c(Cl)cccc1CO)N1CCOCC1
InChIInChI=1S/C13H16ClNO4/c14-11-3-1-2-10(8-16)13(11)19-9-12(17)15-4-6-18-7-5-15/h1-3,16H,4-9H2
InChIKeyOIWDSILNBVFWIF-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.07
Rot. Bonds4

About 2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone

2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone (PubChem CID 112612580) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
PubChem CID112612580
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
SMILESO=C(COc1c(Cl)cccc1CO)N1CCOCC1
InChIInChI=1S/C13H16ClNO4/c14-11-3-1-2-10(8-16)13(11)19-9-12(17)15-4-6-18-7-5-15/h1-3,16H,4-9H2
InChIKeyOIWDSILNBVFWIF-UHFFFAOYSA-N
XLogP1.07
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 78975266
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952262
2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952550
2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
CID 134160663
2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone
CID 115952712
2-[2-chloro-6-(propylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 115953102
4-[2-(2,6-dichlorophenoxy)acetyl]piperazine-1-carbaldehyde
CID 3424511
2-[2-(2-aminoethyl)-6-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 60905328
2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
CID 4769726

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone (CID 112612580) is 2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone is O=C(COc1c(Cl)cccc1CO)N1CCOCC1.
What is the InChIKey of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is OIWDSILNBVFWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c14-11-3-1-2-10(8-16)13(11)19-9-12(17)15-4-6-18-7-5-15/h1-3,16H,4-9H2.
What are the key properties of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone?
2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 285.73 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 112612580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).