2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone

C16H22ClNO3 — CID 895162

IUPAC2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone
SMILESCc1cc(OCC(=O)N2CCOCC2)c(C(C)C)cc1Cl
InChIInChI=1S/C16H22ClNO3/c1-11(2)13-9-14(17)12(3)8-15(13)21-10-16(19)18-4-6-20-7-5-18/h8-9,11H,4-7,10H2,1-3H3
InChIKeyOBXAUHMLECOULQ-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.01
Rot. Bonds4

About 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone

2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone (PubChem CID 895162) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone
PubChem CID895162
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone
SMILESCc1cc(OCC(=O)N2CCOCC2)c(C(C)C)cc1Cl
InChIInChI=1S/C16H22ClNO3/c1-11(2)13-9-14(17)12(3)8-15(13)21-10-16(19)18-4-6-20-7-5-18/h8-9,11H,4-7,10H2,1-3H3
InChIKeyOBXAUHMLECOULQ-UHFFFAOYSA-N
XLogP3.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone (CID 895162) is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone is Cc1cc(OCC(=O)N2CCOCC2)c(C(C)C)cc1Cl.
What is the InChIKey of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone?
The InChIKey is OBXAUHMLECOULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-11(2)13-9-14(17)12(3)8-15(13)21-10-16(19)18-4-6-20-7-5-18/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone?
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone has a molecular weight of 311.81 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone is sourced from PubChem (CID 895162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).