2-(4-chloro-3,5-dimethylphenoxy)-1-morpholin-4-ylethanone

C14H18ClNO3 — CID 748767

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-1-morpholin-4-ylethanone
SMILESCc1cc(OCC(=O)N2CCOCC2)cc(C)c1Cl
InChIInChI=1S/C14H18ClNO3/c1-10-7-12(8-11(2)14(10)15)19-9-13(17)16-3-5-18-6-4-16/h7-8H,3-6,9H2,1-2H3
InChIKeyRRQSQUVLRPSBQC-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.19
Rot. Bonds3

About 2-(4-chloro-3,5-dimethylphenoxy)-1-morpholin-4-ylethanone

2-(4-chloro-3,5-dimethylphenoxy)-1-morpholin-4-ylethanone (PubChem CID 748767) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-1-morpholin-4-ylethanone
PubChem CID748767
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-1-morpholin-4-ylethanone
SMILESCc1cc(OCC(=O)N2CCOCC2)cc(C)c1Cl
InChIInChI=1S/C14H18ClNO3/c1-10-7-12(8-11(2)14(10)15)19-9-13(17)16-3-5-18-6-4-16/h7-8H,3-6,9H2,1-2H3
InChIKeyRRQSQUVLRPSBQC-UHFFFAOYSA-N
XLogP2.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-isopropylacetamide
CID 883710
2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide
CID 692216
2-(4-Chloro-3,5-dimethyl-phenoxy)-N-isopropyl-acetamide
CID 808118
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 753655
4-[2-(4-Chloro-3-methylphenoxy)ethyl]morpholine
CID 869329
2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 883742
1-[(4-Chloro-2-methylphenoxy)acetyl]-3,5-dimethylpiperidine
CID 2931607
1-[(4-Chloro-2-methylphenoxy)acetyl]-4-methylpiperazine
CID 774163
4-[(3-Methylphenoxy)acetyl]morpholine
CID 4478117
2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide
CID 692214
2-(4-Chloro-3,5-dimethyl-phenoxy)-N-(3-morpholin-4-yl-propyl)-acetamide
CID 654862
Ethyl 4-[2-(4-chloro-3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 703748

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-1-morpholin-4-ylethanone (CID 748767) is 2-(4-chloro-3,5-dimethylphenoxy)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-1-morpholin-4-ylethanone is Cc1cc(OCC(=O)N2CCOCC2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-1-morpholin-4-ylethanone?
The InChIKey is RRQSQUVLRPSBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10-7-12(8-11(2)14(10)15)19-9-13(17)16-3-5-18-6-4-16/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-1-morpholin-4-ylethanone?
2-(4-chloro-3,5-dimethylphenoxy)-1-morpholin-4-ylethanone has a molecular weight of 283.75 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-1-morpholin-4-ylethanone is sourced from PubChem (CID 748767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).