(1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol

C15H23NO — CID 79014129

IUPAC(1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC(C)C1CCCN1c1ccc([C@@H](C)O)cc1
InChIInChI=1S/C15H23NO/c1-11(2)15-5-4-10-16(15)14-8-6-13(7-9-14)12(3)17/h6-9,11-12,15,17H,4-5,10H2,1-3H3/t12-,15?/m1/s1
InChIKeyPYIGYPPTYPWFEW-KEKZHRQWSA-N
MW233.36 g/mol
LogP3.36
Rot. Bonds3

About (1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol

(1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol (PubChem CID 79014129) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol
PubChem CID79014129
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC(C)C1CCCN1c1ccc([C@@H](C)O)cc1
InChIInChI=1S/C15H23NO/c1-11(2)15-5-4-10-16(15)14-8-6-13(7-9-14)12(3)17/h6-9,11-12,15,17H,4-5,10H2,1-3H3/t12-,15?/m1/s1
InChIKeyPYIGYPPTYPWFEW-KEKZHRQWSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol (CID 79014129) is (1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol is CC(C)C1CCCN1c1ccc([C@@H](C)O)cc1.
What is the InChIKey of (1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol?
The InChIKey is PYIGYPPTYPWFEW-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)15-5-4-10-16(15)14-8-6-13(7-9-14)12(3)17/h6-9,11-12,15,17H,4-5,10H2,1-3H3/t12-,15?/m1/s1.
What are the key properties of (1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol?
(1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol has a molecular weight of 233.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 79014129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).