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

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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).