2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol

C11H15NO2 — CID 117283565

IUPAC2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol
SMILESOc1ccc(O)c(CC2CCCN2)c1
InChIInChI=1S/C11H15NO2/c13-10-3-4-11(14)8(7-10)6-9-2-1-5-12-9/h3-4,7,9,12-14H,1-2,5-6H2
InChIKeyGUPPCCHJFMHWTD-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.39
Rot. Bonds2

About 2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol

2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol (PubChem CID 117283565) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol
PubChem CID117283565
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol
SMILESOc1ccc(O)c(CC2CCCN2)c1
InChIInChI=1S/C11H15NO2/c13-10-3-4-11(14)8(7-10)6-9-2-1-5-12-9/h3-4,7,9,12-14H,1-2,5-6H2
InChIKeyGUPPCCHJFMHWTD-UHFFFAOYSA-N
XLogP1.39
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.39
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

4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248
2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol
CID 117364506
4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117368692
4-nitro-2-(piperidin-2-ylmethyl)phenol
CID 117344884
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
CID 117326852
2-fluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 82606233
2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol
CID 117323641
2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol
CID 117355163
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117460798
3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol
CID 123921405

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol?
The IUPAC name of 2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol (CID 117283565) is 2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol?
The canonical SMILES for 2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol is Oc1ccc(O)c(CC2CCCN2)c1.
What is the InChIKey of 2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol?
The InChIKey is GUPPCCHJFMHWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-10-3-4-11(14)8(7-10)6-9-2-1-5-12-9/h3-4,7,9,12-14H,1-2,5-6H2.
What are the key properties of 2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol?
2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol has a molecular weight of 193.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol is sourced from PubChem (CID 117283565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).