(3-bromo-4-methylphenyl)-morpholin-4-ylmethanone

C12H14BrNO2 — CID 730215

IUPAC(3-bromo-4-methylphenyl)-morpholin-4-ylmethanone
SMILESCc1ccc(C(=O)N2CCOCC2)cc1Br
InChIInChI=1S/C12H14BrNO2/c1-9-2-3-10(8-11(9)13)12(15)14-4-6-16-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyCVRFIMIZEYRZEW-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.23
Rot. Bonds1

About (3-bromo-4-methylphenyl)-morpholin-4-ylmethanone

(3-bromo-4-methylphenyl)-morpholin-4-ylmethanone (PubChem CID 730215) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-morpholin-4-ylmethanone
PubChem CID730215
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name(3-bromo-4-methylphenyl)-morpholin-4-ylmethanone
SMILESCc1ccc(C(=O)N2CCOCC2)cc1Br
InChIInChI=1S/C12H14BrNO2/c1-9-2-3-10(8-11(9)13)12(15)14-4-6-16-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyCVRFIMIZEYRZEW-UHFFFAOYSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (3-bromo-4-methylphenyl)-morpholin-4-ylmethanone (CID 730215) is (3-bromo-4-methylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-bromo-4-methylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-bromo-4-methylphenyl)-morpholin-4-ylmethanone is Cc1ccc(C(=O)N2CCOCC2)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-morpholin-4-ylmethanone?
The InChIKey is CVRFIMIZEYRZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-9-2-3-10(8-11(9)13)12(15)14-4-6-16-7-5-14/h2-3,8H,4-7H2,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-morpholin-4-ylmethanone?
(3-bromo-4-methylphenyl)-morpholin-4-ylmethanone has a molecular weight of 284.15 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 730215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).