4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol

C12H16BrNO2 — CID 131417656

IUPAC4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol
SMILESCc1cc(O)c([C@@H]2COCCN2)c(C)c1Br
InChIInChI=1S/C12H16BrNO2/c1-7-5-10(15)11(8(2)12(7)13)9-6-16-4-3-14-9/h5,9,14-15H,3-4,6H2,1-2H3/t9-/m0/s1
InChIKeyVWQDBQGVNBXGQZ-VIFPVBQESA-N
MW286.17 g/mol
LogP2.43
Rot. Bonds1

About 4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol

4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol (PubChem CID 131417656) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol
PubChem CID131417656
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol
SMILESCc1cc(O)c([C@@H]2COCCN2)c(C)c1Br
InChIInChI=1S/C12H16BrNO2/c1-7-5-10(15)11(8(2)12(7)13)9-6-16-4-3-14-9/h5,9,14-15H,3-4,6H2,1-2H3/t9-/m0/s1
InChIKeyVWQDBQGVNBXGQZ-VIFPVBQESA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol
CID 131479210
2-[(3S)-morpholin-3-yl]benzene-1,3,5-triol;hydrochloride
CID 171193502
3-bromo-6-methyl-2-morpholin-3-ylphenol
CID 84809565
4-methyl-6-morpholin-3-ylbenzene-1,3-diol
CID 84780563
6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
CID 131487567
3-(2,6-dimethylphenyl)morpholine
CID 55298000
2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192630
3-(4-bromo-2,6-dimethoxyphenyl)morpholine
CID 154562086
4-bromo-3,5-dimethyl-2-pyrrolidin-3-ylphenol
CID 84808971
3-(5-bromo-4-methylthiophen-2-yl)morpholine
CID 130059273
(3R)-3-(5-bromo-2-methylphenyl)morpholine
CID 130632472
(3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride
CID 171193198

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol?
The IUPAC name of 4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol (CID 131417656) is 4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol.
What is the SMILES notation for 4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol?
The canonical SMILES for 4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol is Cc1cc(O)c([C@@H]2COCCN2)c(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol?
The InChIKey is VWQDBQGVNBXGQZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-7-5-10(15)11(8(2)12(7)13)9-6-16-4-3-14-9/h5,9,14-15H,3-4,6H2,1-2H3/t9-/m0/s1.
What are the key properties of 4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol?
4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol has a molecular weight of 286.17 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol is sourced from PubChem (CID 131417656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).