4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one

C12H14BrNO3 — CID 117009573

IUPAC4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one
SMILESCc1ccc(N2C(=O)COCC2CO)cc1Br
InChIInChI=1S/C12H14BrNO3/c1-8-2-3-9(4-11(8)13)14-10(5-15)6-17-7-12(14)16/h2-4,10,15H,5-7H2,1H3
InChIKeyRGDZPERWMUUKMZ-UHFFFAOYSA-N
MW300.15 g/mol
LogP1.48
Rot. Bonds2

About 4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one

4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one (PubChem CID 117009573) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one
PubChem CID117009573
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one
SMILESCc1ccc(N2C(=O)COCC2CO)cc1Br
InChIInChI=1S/C12H14BrNO3/c1-8-2-3-9(4-11(8)13)14-10(5-15)6-17-7-12(14)16/h2-4,10,15H,5-7H2,1H3
InChIKeyRGDZPERWMUUKMZ-UHFFFAOYSA-N
XLogP1.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009582
4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009566
4-(4-bromo-3-methylphenyl)-5-oxomorpholine-3-carbonitrile
CID 117009521
1-(3-bromo-4-methylphenyl)-3-(hydroxymethyl)-4,6-dimethylpiperazin-2-one
CID 84607852
4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102785
4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one
CID 117009647
4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102805
2-[3-(3-bromo-4-methylphenyl)-1-methyl-2-oxoimidazolidin-4-yl]acetic acid
CID 84607617
[1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol
CID 117027951
4-(3-bromo-4-methylphenyl)-5-oxothiomorpholine-3-carboxylic acid
CID 84608760
1-(3-bromo-4-methylphenyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile
CID 117022358
5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one
CID 115060512

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one?
The IUPAC name of 4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one (CID 117009573) is 4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one.
What is the SMILES notation for 4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one?
The canonical SMILES for 4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one is Cc1ccc(N2C(=O)COCC2CO)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one?
The InChIKey is RGDZPERWMUUKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-8-2-3-9(4-11(8)13)14-10(5-15)6-17-7-12(14)16/h2-4,10,15H,5-7H2,1H3.
What are the key properties of 4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one?
4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one has a molecular weight of 300.15 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one is sourced from PubChem (CID 117009573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).