2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride

C10H14ClNO3 — CID 171192528

IUPAC2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride
SMILESCl.Oc1ccc(O)c([C@@H]2COCCN2)c1
InChIInChI=1S/C10H13NO3.ClH/c12-7-1-2-10(13)8(5-7)9-6-14-4-3-11-9;/h1-2,5,9,11-13H,3-4,6H2;1H/t9-;/m0./s1
InChIKeySFDQNOKJCYCYSH-FVGYRXGTSA-N
MW231.68 g/mol
LogP1.18
Rot. Bonds1

About 2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride

2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride (PubChem CID 171192528) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride
PubChem CID171192528
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride
SMILESCl.Oc1ccc(O)c([C@@H]2COCCN2)c1
InChIInChI=1S/C10H13NO3.ClH/c12-7-1-2-10(13)8(5-7)9-6-14-4-3-11-9;/h1-2,5,9,11-13H,3-4,6H2;1H/t9-;/m0./s1
InChIKeySFDQNOKJCYCYSH-FVGYRXGTSA-N
XLogP1.18
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[(3R)-morpholin-3-yl]phenol
CID 131097023
2-morpholin-3-ylphenol
CID 55294349
3-fluoro-4-morpholin-3-ylphenol
CID 55271299
4-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 131539104
2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol
CID 171259740
3-methoxy-4-morpholin-3-ylphenol
CID 130022201
4,5-difluoro-2-morpholin-3-ylphenol
CID 84783766
2-[(3S)-morpholin-3-yl]benzene-1,3,5-triol;hydrochloride
CID 171193502
4-methyl-6-morpholin-3-ylbenzene-1,3-diol
CID 84780563
5-fluoro-2-[(3S)-morpholin-3-yl]phenol
CID 55262699
5-chloro-2-morpholin-3-ylphenol
CID 82613253
5-methoxy-2-morpholin-3-ylphenol
CID 82612039

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride?
The IUPAC name of 2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride (CID 171192528) is 2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride.
What is the SMILES notation for 2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride?
The canonical SMILES for 2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride is Cl.Oc1ccc(O)c([C@@H]2COCCN2)c1.
What is the InChIKey of 2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride?
The InChIKey is SFDQNOKJCYCYSH-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13NO3.ClH/c12-7-1-2-10(13)8(5-7)9-6-14-4-3-11-9;/h1-2,5,9,11-13H,3-4,6H2;1H/t9-;/m0./s1.
What are the key properties of 2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride?
2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride is sourced from PubChem (CID 171192528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).