2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol

C13H19NO — CID 66518911

IUPAC2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
SMILESCC(C)c1cccc([C@@H]2CCCN2)c1O
InChIInChI=1S/C13H19NO/c1-9(2)10-5-3-6-11(13(10)15)12-7-4-8-14-12/h3,5-6,9,12,14-15H,4,7-8H2,1-2H3/t12-/m0/s1
InChIKeyONZJFLKMPVLBFU-LBPRGKRZSA-N
MW205.30 g/mol
LogP2.94
Rot. Bonds2

About 2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol

2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol (PubChem CID 66518911) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
PubChem CID66518911
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
SMILESCC(C)c1cccc([C@@H]2CCCN2)c1O
InChIInChI=1S/C13H19NO/c1-9(2)10-5-3-6-11(13(10)15)12-7-4-8-14-12/h3,5-6,9,12,14-15H,4,7-8H2,1-2H3/t12-/m0/s1
InChIKeyONZJFLKMPVLBFU-LBPRGKRZSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol
CID 131597321
3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171194852
2-cyclohexyl-6-propan-2-ylphenol
CID 3058302
2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol
CID 55263489
2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol
CID 171259764
6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol
CID 84684983
2-(2-pentan-3-ylphenyl)pyrrolidine
CID 83836318
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329
6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol
CID 84697064

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol?
The IUPAC name of 2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol (CID 66518911) is 2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol is CC(C)c1cccc([C@@H]2CCCN2)c1O.
What is the InChIKey of 2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol?
The InChIKey is ONZJFLKMPVLBFU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)10-5-3-6-11(13(10)15)12-7-4-8-14-12/h3,5-6,9,12,14-15H,4,7-8H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol?
2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 66518911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).