(3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

C14H17Cl2NO3 — CID 114778552

IUPAC(3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2cc(Cl)cc(Cl)c2)CC(CO)O1
InChIInChI=1S/C14H17Cl2NO3/c1-14(2)8-17(6-12(7-18)20-14)13(19)9-3-10(15)5-11(16)4-9/h3-5,12,18H,6-8H2,1-2H3
InChIKeyYTPMFOHEGNUNGI-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.61
Rot. Bonds2

About (3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

(3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (PubChem CID 114778552) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
PubChem CID114778552
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name(3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2cc(Cl)cc(Cl)c2)CC(CO)O1
InChIInChI=1S/C14H17Cl2NO3/c1-14(2)8-17(6-12(7-18)20-14)13(19)9-3-10(15)5-11(16)4-9/h3-5,12,18H,6-8H2,1-2H3
InChIKeyYTPMFOHEGNUNGI-UHFFFAOYSA-N
XLogP2.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methylfuran-3-yl)methanone
CID 114821834
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 114777165
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-3-pyridinyl)methanone
CID 114778902
(3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776108
(4-ethylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778923
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 114777024
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753478
(3-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778918
(4-amino-3-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776793
(5-amino-2-chlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776059
(2-amino-4-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780098
(2-chloro-5-sulfanylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 107036506

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (CID 114778552) is (3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is CC1(C)CN(C(=O)c2cc(Cl)cc(Cl)c2)CC(CO)O1.
What is the InChIKey of (3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The InChIKey is YTPMFOHEGNUNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-14(2)8-17(6-12(7-18)20-14)13(19)9-3-10(15)5-11(16)4-9/h3-5,12,18H,6-8H2,1-2H3.
What are the key properties of (3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
(3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone has a molecular weight of 318.20 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 114778552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).