4-(2-propan-2-ylpyrrolidin-2-yl)phenol

C13H19NO — CID 115058626

IUPAC4-(2-propan-2-ylpyrrolidin-2-yl)phenol
SMILESCC(C)C1(c2ccc(O)cc2)CCCN1
InChIInChI=1S/C13H19NO/c1-10(2)13(8-3-9-14-13)11-4-6-12(15)7-5-11/h4-7,10,14-15H,3,8-9H2,1-2H3
InChIKeyRLPXJPMDKMRLGE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.63
Rot. Bonds2

About 4-(2-propan-2-ylpyrrolidin-2-yl)phenol

4-(2-propan-2-ylpyrrolidin-2-yl)phenol (PubChem CID 115058626) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(2-propan-2-ylpyrrolidin-2-yl)phenol.

Molecular Properties

Compound Name4-(2-propan-2-ylpyrrolidin-2-yl)phenol
PubChem CID115058626
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(2-propan-2-ylpyrrolidin-2-yl)phenol
SMILESCC(C)C1(c2ccc(O)cc2)CCCN1
InChIInChI=1S/C13H19NO/c1-10(2)13(8-3-9-14-13)11-4-6-12(15)7-5-11/h4-7,10,14-15H,3,8-9H2,1-2H3
InChIKeyRLPXJPMDKMRLGE-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-propan-2-ylpiperidin-2-yl)phenol
CID 115058712
2-(3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine
CID 66465151
2-propan-2-yl-2-(4-propan-2-ylphenyl)azepane
CID 79116630
2-(3,4-dimethoxyphenyl)-2-propan-2-ylpyrrolidine
CID 66467199
N,N-dimethyl-5-(2-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine
CID 114273153
4-(2-methylpyrrolidin-2-yl)phenol
CID 82599572
2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 66467423
2-(3-chlorophenyl)-2-propan-2-ylpiperidine
CID 115058678
4-(2-methylazepan-2-yl)phenol
CID 115059442
2-(3-bromophenyl)-2-propan-2-ylazepane
CID 115059411
2-(2,4-dimethylphenyl)-2-propan-2-ylpyrrolidine
CID 66466956
2-(2,5-dimethylphenyl)-2-propan-2-ylpyrrolidine
CID 66465150

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylpyrrolidin-2-yl)phenol?
The IUPAC name of 4-(2-propan-2-ylpyrrolidin-2-yl)phenol (CID 115058626) is 4-(2-propan-2-ylpyrrolidin-2-yl)phenol.
What is the SMILES notation for 4-(2-propan-2-ylpyrrolidin-2-yl)phenol?
The canonical SMILES for 4-(2-propan-2-ylpyrrolidin-2-yl)phenol is CC(C)C1(c2ccc(O)cc2)CCCN1.
What is the InChIKey of 4-(2-propan-2-ylpyrrolidin-2-yl)phenol?
The InChIKey is RLPXJPMDKMRLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)13(8-3-9-14-13)11-4-6-12(15)7-5-11/h4-7,10,14-15H,3,8-9H2,1-2H3.
What are the key properties of 4-(2-propan-2-ylpyrrolidin-2-yl)phenol?
4-(2-propan-2-ylpyrrolidin-2-yl)phenol has a molecular weight of 205.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylpyrrolidin-2-yl)phenol is sourced from PubChem (CID 115058626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).