2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one

C14H17Cl2NO4 — CID 43516184

IUPAC2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1c(Cl)cc(Cl)cc1CO)C(=O)N1CCOCC1
InChIInChI=1S/C14H17Cl2NO4/c1-9(14(19)17-2-4-20-5-3-17)21-13-10(8-18)6-11(15)7-12(13)16/h6-7,9,18H,2-5,8H2,1H3
InChIKeyNNJWPPQCXGXWPD-UHFFFAOYSA-N
MW334.20 g/mol
LogP2.11
Rot. Bonds4

About 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one

2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one (PubChem CID 43516184) has the molecular formula C14H17Cl2NO4 and a molecular weight of 334.20 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
PubChem CID43516184
Molecular FormulaC14H17Cl2NO4
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1c(Cl)cc(Cl)cc1CO)C(=O)N1CCOCC1
InChIInChI=1S/C14H17Cl2NO4/c1-9(14(19)17-2-4-20-5-3-17)21-13-10(8-18)6-11(15)7-12(13)16/h6-7,9,18H,2-5,8H2,1H3
InChIKeyNNJWPPQCXGXWPD-UHFFFAOYSA-N
XLogP2.11
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 95165980
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide
CID 43516191
(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
CID 43516223
3,5-dichloro-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid
CID 43516097
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
2-[4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43083069
2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid
CID 11990630
2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 62074940
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide
CID 43516286
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 43379295

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one (CID 43516184) is 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one is CC(Oc1c(Cl)cc(Cl)cc1CO)C(=O)N1CCOCC1.
What is the InChIKey of 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one?
The InChIKey is NNJWPPQCXGXWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO4/c1-9(14(19)17-2-4-20-5-3-17)21-13-10(8-18)6-11(15)7-12(13)16/h6-7,9,18H,2-5,8H2,1H3.
What are the key properties of 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one?
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one has a molecular weight of 334.20 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 43516184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).