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

C12H17NO2 — CID 131479210

IUPAC3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol
SMILESCc1cc(O)cc(C)c1[C@@H]1COCCN1
InChIInChI=1S/C12H17NO2/c1-8-5-10(14)6-9(2)12(8)11-7-15-4-3-13-11/h5-6,11,13-14H,3-4,7H2,1-2H3/t11-/m0/s1
InChIKeyJVVJUDXZCTVISF-NSHDSACASA-N
MW207.27 g/mol
LogP1.67
Rot. Bonds1

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

3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol (PubChem CID 131479210) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol.

Molecular Properties

Compound Name3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol
PubChem CID131479210
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol
SMILESCc1cc(O)cc(C)c1[C@@H]1COCCN1
InChIInChI=1S/C12H17NO2/c1-8-5-10(14)6-9(2)12(8)11-7-15-4-3-13-11/h5-6,11,13-14H,3-4,7H2,1-2H3/t11-/m0/s1
InChIKeyJVVJUDXZCTVISF-NSHDSACASA-N
XLogP1.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-4-[(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

2-[(3S)-morpholin-3-yl]benzene-1,3,5-triol;hydrochloride
CID 171193502
3-(2,6-dimethylphenyl)morpholine
CID 55298000
4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol
CID 131417656
6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
CID 131487567
2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192630
4-methyl-6-morpholin-3-ylbenzene-1,3-diol
CID 84780563
3-bromo-6-methyl-2-morpholin-3-ylphenol
CID 84809565
3-fluoro-5-morpholin-3-ylphenol
CID 55271718
4-fluoro-2-methyl-6-[(3R)-morpholin-3-yl]phenol
CID 131254251
4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
CID 171193448
(3S)-3-(2-chloro-6-methylphenyl)morpholine
CID 131168891
(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol?
The IUPAC name of 3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol (CID 131479210) is 3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol.
What is the SMILES notation for 3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol?
The canonical SMILES for 3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol is Cc1cc(O)cc(C)c1[C@@H]1COCCN1.
What is the InChIKey of 3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol?
The InChIKey is JVVJUDXZCTVISF-NSHDSACASA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-5-10(14)6-9(2)12(8)11-7-15-4-3-13-11/h5-6,11,13-14H,3-4,7H2,1-2H3/t11-/m0/s1.
What are the key properties of 3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol?
3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol has a molecular weight of 207.27 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol is sourced from PubChem (CID 131479210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).