5-chloro-2-morpholin-3-ylphenol

C10H12ClNO2 — CID 82613253

IUPAC5-chloro-2-morpholin-3-ylphenol
SMILESOc1cc(Cl)ccc1C1COCCN1
InChIInChI=1S/C10H12ClNO2/c11-7-1-2-8(10(13)5-7)9-6-14-4-3-12-9/h1-2,5,9,12-13H,3-4,6H2
InChIKeyIFTUAFBNBYCVGJ-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.71
Rot. Bonds1

About 5-chloro-2-morpholin-3-ylphenol

5-chloro-2-morpholin-3-ylphenol (PubChem CID 82613253) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 5-chloro-2-morpholin-3-ylphenol.

Molecular Properties

Compound Name5-chloro-2-morpholin-3-ylphenol
PubChem CID82613253
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name5-chloro-2-morpholin-3-ylphenol
SMILESOc1cc(Cl)ccc1C1COCCN1
InChIInChI=1S/C10H12ClNO2/c11-7-1-2-8(10(13)5-7)9-6-14-4-3-12-9/h1-2,5,9,12-13H,3-4,6H2
InChIKeyIFTUAFBNBYCVGJ-UHFFFAOYSA-N
XLogP1.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[(3S)-morpholin-3-yl]phenol
CID 55262699
3-(2,5-dichlorophenyl)morpholine
CID 126971180
2-morpholin-3-ylphenol
CID 55294349
5-methoxy-2-morpholin-3-ylphenol
CID 82612039
5-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 96773573
4,5-difluoro-2-morpholin-3-ylphenol
CID 84783766
3-fluoro-4-morpholin-3-ylphenol
CID 55271299
4-methyl-6-morpholin-3-ylbenzene-1,3-diol
CID 84780563
2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride
CID 171192528
(3S)-3-(5-chloro-2-nitrophenyl)morpholine
CID 131335857
2-chloro-3-methoxy-4-morpholin-3-ylphenol
CID 84802086
4-amino-2-[(3R)-morpholin-3-yl]phenol
CID 131097023

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-morpholin-3-ylphenol?
The IUPAC name of 5-chloro-2-morpholin-3-ylphenol (CID 82613253) is 5-chloro-2-morpholin-3-ylphenol.
What is the SMILES notation for 5-chloro-2-morpholin-3-ylphenol?
The canonical SMILES for 5-chloro-2-morpholin-3-ylphenol is Oc1cc(Cl)ccc1C1COCCN1.
What is the InChIKey of 5-chloro-2-morpholin-3-ylphenol?
The InChIKey is IFTUAFBNBYCVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-7-1-2-8(10(13)5-7)9-6-14-4-3-12-9/h1-2,5,9,12-13H,3-4,6H2.
What are the key properties of 5-chloro-2-morpholin-3-ylphenol?
5-chloro-2-morpholin-3-ylphenol has a molecular weight of 213.66 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-morpholin-3-ylphenol is sourced from PubChem (CID 82613253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).