(2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C15H20ClNO3 — CID 110027448

IUPAC(2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCc1cc(Cl)c(C(=O)N2CC(CO)OCC2C)cc1C
InChIInChI=1S/C15H20ClNO3/c1-9-4-13(14(16)5-10(9)2)15(19)17-6-12(7-18)20-8-11(17)3/h4-5,11-12,18H,6-8H2,1-3H3
InChIKeyMUZHTZLVZNJBQE-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.18
Rot. Bonds2

About (2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

(2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 110027448) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID110027448
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name(2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCc1cc(Cl)c(C(=O)N2CC(CO)OCC2C)cc1C
InChIInChI=1S/C15H20ClNO3/c1-9-4-13(14(16)5-10(9)2)15(19)17-6-12(7-18)20-8-11(17)3/h4-5,11-12,18H,6-8H2,1-3H3
InChIKeyMUZHTZLVZNJBQE-UHFFFAOYSA-N
XLogP2.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-2-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81266511
(4-bromo-2-methylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208453
(3,5-dichloro-4-methoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208657
(3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 103909324
(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107723418
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107965992
(2-amino-4,5-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81205548
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81256333
(2-chloro-6-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81209256
(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81219803
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 81202743
(3-bromo-5-methylphenyl)-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 99606476

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 110027448) is (2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is Cc1cc(Cl)c(C(=O)N2CC(CO)OCC2C)cc1C.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is MUZHTZLVZNJBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-9-4-13(14(16)5-10(9)2)15(19)17-6-12(7-18)20-8-11(17)3/h4-5,11-12,18H,6-8H2,1-3H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
(2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 297.78 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 110027448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).