2,3,5-trimethyl-6-pyrrolidin-3-ylphenol

C13H19NO — CID 117116664

IUPAC2,3,5-trimethyl-6-pyrrolidin-3-ylphenol
SMILESCc1cc(C)c(C2CCNC2)c(O)c1C
InChIInChI=1S/C13H19NO/c1-8-6-9(2)12(13(15)10(8)3)11-4-5-14-7-11/h6,11,14-15H,4-5,7H2,1-3H3
InChIKeyIXUYJZAHXMOAOB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.39
Rot. Bonds1

About 2,3,5-trimethyl-6-pyrrolidin-3-ylphenol

2,3,5-trimethyl-6-pyrrolidin-3-ylphenol (PubChem CID 117116664) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-pyrrolidin-3-ylphenol.

Molecular Properties

Compound Name2,3,5-trimethyl-6-pyrrolidin-3-ylphenol
PubChem CID117116664
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2,3,5-trimethyl-6-pyrrolidin-3-ylphenol
SMILESCc1cc(C)c(C2CCNC2)c(O)c1C
InChIInChI=1S/C13H19NO/c1-8-6-9(2)12(13(15)10(8)3)11-4-5-14-7-11/h6,11,14-15H,4-5,7H2,1-3H3
InChIKeyIXUYJZAHXMOAOB-UHFFFAOYSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
4-bromo-3,5-dimethyl-2-pyrrolidin-3-ylphenol
CID 84808971
(3S)-3-(2,6-dimethylphenyl)pyrrolidine
CID 93478436
3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine
CID 84772859
3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol
CID 117356276
3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
CID 117392624
3-chloro-5-methyl-4-piperidin-3-ylbenzene-1,2-diol
CID 117356245
2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol
CID 117283580
4-chloro-2-methyl-6-pyrrolidin-3-ylphenol
CID 117302392
3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
CID 82492093
3-(2-bromo-6-methylphenyl)pyrrolidine
CID 117103930
3-(2-chloro-6-methylphenyl)pyrrolidine
CID 117103928

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-6-pyrrolidin-3-ylphenol?
The IUPAC name of 2,3,5-trimethyl-6-pyrrolidin-3-ylphenol (CID 117116664) is 2,3,5-trimethyl-6-pyrrolidin-3-ylphenol.
What is the SMILES notation for 2,3,5-trimethyl-6-pyrrolidin-3-ylphenol?
The canonical SMILES for 2,3,5-trimethyl-6-pyrrolidin-3-ylphenol is Cc1cc(C)c(C2CCNC2)c(O)c1C.
What is the InChIKey of 2,3,5-trimethyl-6-pyrrolidin-3-ylphenol?
The InChIKey is IXUYJZAHXMOAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8-6-9(2)12(13(15)10(8)3)11-4-5-14-7-11/h6,11,14-15H,4-5,7H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-6-pyrrolidin-3-ylphenol?
2,3,5-trimethyl-6-pyrrolidin-3-ylphenol has a molecular weight of 205.30 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6-pyrrolidin-3-ylphenol is sourced from PubChem (CID 117116664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).