4-methyl-6-morpholin-3-ylbenzene-1,3-diol

C11H15NO3 — CID 84780563

IUPAC4-methyl-6-morpholin-3-ylbenzene-1,3-diol
SMILESCc1cc(C2COCCN2)c(O)cc1O
InChIInChI=1S/C11H15NO3/c1-7-4-8(11(14)5-10(7)13)9-6-15-3-2-12-9/h4-5,9,12-14H,2-3,6H2,1H3
InChIKeyWLCOTORTNQKLJO-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.07
Rot. Bonds1

About 4-methyl-6-morpholin-3-ylbenzene-1,3-diol

4-methyl-6-morpholin-3-ylbenzene-1,3-diol (PubChem CID 84780563) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-methyl-6-morpholin-3-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-methyl-6-morpholin-3-ylbenzene-1,3-diol
PubChem CID84780563
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name4-methyl-6-morpholin-3-ylbenzene-1,3-diol
SMILESCc1cc(C2COCCN2)c(O)cc1O
InChIInChI=1S/C11H15NO3/c1-7-4-8(11(14)5-10(7)13)9-6-15-3-2-12-9/h4-5,9,12-14H,2-3,6H2,1H3
InChIKeyWLCOTORTNQKLJO-UHFFFAOYSA-N
XLogP1.07
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,5-difluoro-2-morpholin-3-ylphenol
CID 84783766
3-(4-chloro-2,5-dimethylphenyl)morpholine
CID 84790642
2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride
CID 171192528
4-fluoro-2-methyl-6-[(3R)-morpholin-3-yl]phenol
CID 131254251
3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol
CID 131479210
5-chloro-2-morpholin-3-ylphenol
CID 82613253
4-amino-2-[(3R)-morpholin-3-yl]phenol
CID 131097023
5-fluoro-2-[(3S)-morpholin-3-yl]phenol
CID 55262699
4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
CID 171193448
4-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 131539104
5-methoxy-2-morpholin-3-ylphenol
CID 82612039
5-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 96773573

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-morpholin-3-ylbenzene-1,3-diol?
The IUPAC name of 4-methyl-6-morpholin-3-ylbenzene-1,3-diol (CID 84780563) is 4-methyl-6-morpholin-3-ylbenzene-1,3-diol.
What is the SMILES notation for 4-methyl-6-morpholin-3-ylbenzene-1,3-diol?
The canonical SMILES for 4-methyl-6-morpholin-3-ylbenzene-1,3-diol is Cc1cc(C2COCCN2)c(O)cc1O.
What is the InChIKey of 4-methyl-6-morpholin-3-ylbenzene-1,3-diol?
The InChIKey is WLCOTORTNQKLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-4-8(11(14)5-10(7)13)9-6-15-3-2-12-9/h4-5,9,12-14H,2-3,6H2,1H3.
What are the key properties of 4-methyl-6-morpholin-3-ylbenzene-1,3-diol?
4-methyl-6-morpholin-3-ylbenzene-1,3-diol has a molecular weight of 209.24 g/mol, XLogP of 1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-morpholin-3-ylbenzene-1,3-diol is sourced from PubChem (CID 84780563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).