1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol

C18H21NO2 — CID 68769138

IUPAC1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol
SMILESCC(O)(c1ccc(Oc2ccccc2)cc1)C1CCCN1
InChIInChI=1S/C18H21NO2/c1-18(20,17-8-5-13-19-17)14-9-11-16(12-10-14)21-15-6-3-2-4-7-15/h2-4,6-7,9-12,17,19-20H,5,8,13H2,1H3
InChIKeyFQDMLKQKNBNTHY-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.44
Rot. Bonds4

About 1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol

1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol (PubChem CID 68769138) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol
PubChem CID68769138
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol
SMILESCC(O)(c1ccc(Oc2ccccc2)cc1)C1CCCN1
InChIInChI=1S/C18H21NO2/c1-18(20,17-8-5-13-19-17)14-9-11-16(12-10-14)21-15-6-3-2-4-7-15/h2-4,6-7,9-12,17,19-20H,5,8,13H2,1H3
InChIKeyFQDMLKQKNBNTHY-UHFFFAOYSA-N
XLogP3.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
1-(4-butoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 112512823
4-(1-hydroxy-1-piperidin-2-ylethyl)phenol
CID 83075523
1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155141493
alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane
CID 19782534
diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane
CID 138393439
1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82287159
1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82291205
(2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine
CID 147642184
1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 155010547
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 138485227
1-(furan-3-yl)-1-pyrrolidin-2-ylethanol
CID 115467228

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol?
The IUPAC name of 1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol (CID 68769138) is 1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol is CC(O)(c1ccc(Oc2ccccc2)cc1)C1CCCN1.
What is the InChIKey of 1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol?
The InChIKey is FQDMLKQKNBNTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(20,17-8-5-13-19-17)14-9-11-16(12-10-14)21-15-6-3-2-4-7-15/h2-4,6-7,9-12,17,19-20H,5,8,13H2,1H3.
What are the key properties of 1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol?
1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol has a molecular weight of 283.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol is sourced from PubChem (CID 68769138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).