2-methyl-5-morpholin-2-ylbenzene-1,4-diol

C11H15NO3 — CID 117298411

IUPAC2-methyl-5-morpholin-2-ylbenzene-1,4-diol
SMILESCc1cc(O)c(C2CNCCO2)cc1O
InChIInChI=1S/C11H15NO3/c1-7-4-10(14)8(5-9(7)13)11-6-12-2-3-15-11/h4-5,11-14H,2-3,6H2,1H3
InChIKeyVVPZLJHHTVFOFP-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.07
Rot. Bonds1

About 2-methyl-5-morpholin-2-ylbenzene-1,4-diol

2-methyl-5-morpholin-2-ylbenzene-1,4-diol (PubChem CID 117298411) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-methyl-5-morpholin-2-ylbenzene-1,4-diol.

Molecular Properties

Compound Name2-methyl-5-morpholin-2-ylbenzene-1,4-diol
PubChem CID117298411
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-methyl-5-morpholin-2-ylbenzene-1,4-diol
SMILESCc1cc(O)c(C2CNCCO2)cc1O
InChIInChI=1S/C11H15NO3/c1-7-4-10(14)8(5-9(7)13)11-6-12-2-3-15-11/h4-5,11-14H,2-3,6H2,1H3
InChIKeyVVPZLJHHTVFOFP-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-methyl-5-morpholin-2-ylphenol
CID 84809549
2-fluoro-4-methyl-5-morpholin-2-ylphenol
CID 84781573
7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117346368
3-methyl-4-morpholin-2-ylphenol
CID 67032452
3-morpholin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117338465
2,6-dimethyl-3-morpholin-2-ylphenol
CID 117296490
4-bromo-2-methyl-6-morpholin-2-ylphenol
CID 117432760
2-morpholin-2-yl-5-propan-2-ylphenol
CID 117316057
6-bromo-3-morpholin-2-ylnaphthalen-2-ol
CID 117493024
2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol
CID 117283580
2,5-difluoro-4-morpholin-2-ylphenol
CID 117306323
2-methoxy-3,6-dimethyl-4-morpholin-2-ylphenol
CID 117346877

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-morpholin-2-ylbenzene-1,4-diol?
The IUPAC name of 2-methyl-5-morpholin-2-ylbenzene-1,4-diol (CID 117298411) is 2-methyl-5-morpholin-2-ylbenzene-1,4-diol.
What is the SMILES notation for 2-methyl-5-morpholin-2-ylbenzene-1,4-diol?
The canonical SMILES for 2-methyl-5-morpholin-2-ylbenzene-1,4-diol is Cc1cc(O)c(C2CNCCO2)cc1O.
What is the InChIKey of 2-methyl-5-morpholin-2-ylbenzene-1,4-diol?
The InChIKey is VVPZLJHHTVFOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-4-10(14)8(5-9(7)13)11-6-12-2-3-15-11/h4-5,11-14H,2-3,6H2,1H3.
What are the key properties of 2-methyl-5-morpholin-2-ylbenzene-1,4-diol?
2-methyl-5-morpholin-2-ylbenzene-1,4-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 2-methyl-5-morpholin-2-ylbenzene-1,4-diol is sourced from PubChem (CID 117298411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).