2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol

C11H15NO2 — CID 117283580

IUPAC2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol
SMILESCc1cc(O)c(C2CCNC2)cc1O
InChIInChI=1S/C11H15NO2/c1-7-4-11(14)9(5-10(7)13)8-2-3-12-6-8/h4-5,8,12-14H,2-3,6H2,1H3
InChIKeyQPWPPPMJPOSETN-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.48
Rot. Bonds1

About 2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol

2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol (PubChem CID 117283580) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol.

Molecular Properties

Compound Name2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol
PubChem CID117283580
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol
SMILESCc1cc(O)c(C2CCNC2)cc1O
InChIInChI=1S/C11H15NO2/c1-7-4-11(14)9(5-10(7)13)8-2-3-12-6-8/h4-5,8,12-14H,2-3,6H2,1H3
InChIKeyQPWPPPMJPOSETN-UHFFFAOYSA-N
XLogP1.48
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-cycloheptyl-5-methylbenzene-1,4-diol
CID 59639034
2-methyl-5-morpholin-2-ylbenzene-1,4-diol
CID 117298411
4-chloro-2-methyl-6-pyrrolidin-3-ylphenol
CID 117302392
5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol
CID 96744761
4-bromo-3,5-dimethyl-2-pyrrolidin-3-ylphenol
CID 84808971
4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131169760
2-fluoro-5-piperidin-3-ylbenzene-1,4-diol
CID 117301308
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
3-(4-chloro-2,5-dimethylphenyl)pyrrolidine
CID 84781090
3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772856
4-(fluoromethyl)-2-pyrrolidin-3-ylphenol
CID 84666184
4,5-difluoro-2-piperidin-3-ylphenol
CID 84679573

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol?
The IUPAC name of 2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol (CID 117283580) is 2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol.
What is the SMILES notation for 2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol?
The canonical SMILES for 2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol is Cc1cc(O)c(C2CCNC2)cc1O.
What is the InChIKey of 2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol?
The InChIKey is QPWPPPMJPOSETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-4-11(14)9(5-10(7)13)8-2-3-12-6-8/h4-5,8,12-14H,2-3,6H2,1H3.
What are the key properties of 2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol?
2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol has a molecular weight of 193.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol is sourced from PubChem (CID 117283580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).