3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol

C11H15NO — CID 131080650

IUPAC3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
SMILESCc1cccc(O)c1[C@H]1CCNC1
InChIInChI=1S/C11H15NO/c1-8-3-2-4-10(13)11(8)9-5-6-12-7-9/h2-4,9,12-13H,5-7H2,1H3/t9-/m0/s1
InChIKeyNURWLGNYNLBKGA-VIFPVBQESA-N
MW177.25 g/mol
LogP1.78
Rot. Bonds1

About 3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol

3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol (PubChem CID 131080650) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol.

Molecular Properties

Compound Name3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
PubChem CID131080650
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
SMILESCc1cccc(O)c1[C@H]1CCNC1
InChIInChI=1S/C11H15NO/c1-8-3-2-4-10(13)11(8)9-5-6-12-7-9/h2-4,9,12-13H,5-7H2,1H3/t9-/m0/s1
InChIKeyNURWLGNYNLBKGA-VIFPVBQESA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2,6-dimethylphenyl)pyrrolidine
CID 93478436
3-(2-bromo-6-methylphenyl)pyrrolidine
CID 117103930
3-(2-chloro-6-methylphenyl)pyrrolidine
CID 117103928
3-amino-2-pyrrolidin-3-ylphenol
CID 117103671
3-methyl-2-pyrrolidin-3-ylbenzaldehyde
CID 87618277
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine
CID 84772859
2,3,5-trimethyl-6-pyrrolidin-3-ylphenol
CID 117116664
3-methyl-2-(oxan-4-yl)phenol
CID 117104365
4-bromo-3,5-dimethyl-2-pyrrolidin-3-ylphenol
CID 84808971
2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol
CID 131145885
2-amino-3-pyrrolidin-3-ylphenol
CID 117103712

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol?
The IUPAC name of 3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol (CID 131080650) is 3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol.
What is the SMILES notation for 3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol?
The canonical SMILES for 3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol is Cc1cccc(O)c1[C@H]1CCNC1.
What is the InChIKey of 3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol?
The InChIKey is NURWLGNYNLBKGA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO/c1-8-3-2-4-10(13)11(8)9-5-6-12-7-9/h2-4,9,12-13H,5-7H2,1H3/t9-/m0/s1.
What are the key properties of 3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol?
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol has a molecular weight of 177.25 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol is sourced from PubChem (CID 131080650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).