5-morpholin-4-ylbenzene-1,3-diol

C10H13NO3 — CID 58923367

IUPAC5-morpholin-4-ylbenzene-1,3-diol
SMILESOc1cc(O)cc(N2CCOCC2)c1
InChIInChI=1S/C10H13NO3/c12-9-5-8(6-10(13)7-9)11-1-3-14-4-2-11/h5-7,12-13H,1-4H2
InChIKeyYFFICENSWTUOCJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.93
Rot. Bonds1

About 5-morpholin-4-ylbenzene-1,3-diol

5-morpholin-4-ylbenzene-1,3-diol (PubChem CID 58923367) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-morpholin-4-ylbenzene-1,3-diol.

Molecular Properties

Compound Name5-morpholin-4-ylbenzene-1,3-diol
PubChem CID58923367
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5-morpholin-4-ylbenzene-1,3-diol
SMILESOc1cc(O)cc(N2CCOCC2)c1
InChIInChI=1S/C10H13NO3/c12-9-5-8(6-10(13)7-9)11-1-3-14-4-2-11/h5-7,12-13H,1-4H2
InChIKeyYFFICENSWTUOCJ-UHFFFAOYSA-N
XLogP0.93
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-morpholin-4-ylphenol
CID 155639936
3-chloro-5-morpholin-4-ylphenol
CID 130057558
3,5-di(piperidin-1-yl)phenol
CID 16638574
3-(4-morpholin-4-ylphenyl)phenol
CID 46887508
13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 10519968
2-chloro-5-morpholin-4-ylphenol
CID 84679971
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
5-(4,6-dimorpholin-4-yl-2-pyridinyl)pyridin-3-ol
CID 58507745
3-amino-5-morpholin-4-ylbenzoic acid
CID 67513749
2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane
CID 170587481
4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine
CID 159726941

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylbenzene-1,3-diol?
The IUPAC name of 5-morpholin-4-ylbenzene-1,3-diol (CID 58923367) is 5-morpholin-4-ylbenzene-1,3-diol.
What is the SMILES notation for 5-morpholin-4-ylbenzene-1,3-diol?
The canonical SMILES for 5-morpholin-4-ylbenzene-1,3-diol is Oc1cc(O)cc(N2CCOCC2)c1.
What is the InChIKey of 5-morpholin-4-ylbenzene-1,3-diol?
The InChIKey is YFFICENSWTUOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-9-5-8(6-10(13)7-9)11-1-3-14-4-2-11/h5-7,12-13H,1-4H2.
What are the key properties of 5-morpholin-4-ylbenzene-1,3-diol?
5-morpholin-4-ylbenzene-1,3-diol has a molecular weight of 195.22 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylbenzene-1,3-diol is sourced from PubChem (CID 58923367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).