4-(4-bromo-2-methylphenyl)morpholin-3-one

C11H12BrNO2 — CID 130066589

IUPAC4-(4-bromo-2-methylphenyl)morpholin-3-one
SMILESCc1cc(Br)ccc1N1CCOCC1=O
InChIInChI=1S/C11H12BrNO2/c1-8-6-9(12)2-3-10(8)13-4-5-15-7-11(13)14/h2-3,6H,4-5,7H2,1H3
InChIKeyBZHSBFSAKNORQC-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.12
Rot. Bonds1

About 4-(4-bromo-2-methylphenyl)morpholin-3-one

4-(4-bromo-2-methylphenyl)morpholin-3-one (PubChem CID 130066589) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenyl)morpholin-3-one.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenyl)morpholin-3-one
PubChem CID130066589
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name4-(4-bromo-2-methylphenyl)morpholin-3-one
SMILESCc1cc(Br)ccc1N1CCOCC1=O
InChIInChI=1S/C11H12BrNO2/c1-8-6-9(12)2-3-10(8)13-4-5-15-7-11(13)14/h2-3,6H,4-5,7H2,1H3
InChIKeyBZHSBFSAKNORQC-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenyl)morpholin-3-one?
The IUPAC name of 4-(4-bromo-2-methylphenyl)morpholin-3-one (CID 130066589) is 4-(4-bromo-2-methylphenyl)morpholin-3-one.
What is the SMILES notation for 4-(4-bromo-2-methylphenyl)morpholin-3-one?
The canonical SMILES for 4-(4-bromo-2-methylphenyl)morpholin-3-one is Cc1cc(Br)ccc1N1CCOCC1=O.
What is the InChIKey of 4-(4-bromo-2-methylphenyl)morpholin-3-one?
The InChIKey is BZHSBFSAKNORQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-8-6-9(12)2-3-10(8)13-4-5-15-7-11(13)14/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 4-(4-bromo-2-methylphenyl)morpholin-3-one?
4-(4-bromo-2-methylphenyl)morpholin-3-one has a molecular weight of 270.13 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methylphenyl)morpholin-3-one is sourced from PubChem (CID 130066589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).