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

C18H21NO2 — CID 57207345

IUPAC1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol
SMILESOC(CN1CCCC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c20-18(14-19-12-4-5-13-19)15-8-10-17(11-9-15)21-16-6-2-1-3-7-16/h1-3,6-11,18,20H,4-5,12-14H2
InChIKeyFVHQSLJPSYUOEG-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.61
Rot. Bonds5

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

1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol (PubChem CID 57207345) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol
PubChem CID57207345
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol
SMILESOC(CN1CCCC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c20-18(14-19-12-4-5-13-19)15-8-10-17(11-9-15)21-16-6-2-1-3-7-16/h1-3,6-11,18,20H,4-5,12-14H2
InChIKeyFVHQSLJPSYUOEG-UHFFFAOYSA-N
XLogP3.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol
CID 11492169
1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094
(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
CID 39247565
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 95104653
1-[(2R)-2-phenoxypropyl]pyrrolidine
CID 142952831
2-(azepan-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 117244530
1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 3102574
(1R,2R)-1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 822969
1-phenyl-2-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethanol
CID 110891512

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol?
The IUPAC name of 1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol (CID 57207345) is 1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol?
The canonical SMILES for 1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol is OC(CN1CCCC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol?
The InChIKey is FVHQSLJPSYUOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-18(14-19-12-4-5-13-19)15-8-10-17(11-9-15)21-16-6-2-1-3-7-16/h1-3,6-11,18,20H,4-5,12-14H2.
What are the key properties of 1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol?
1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol has a molecular weight of 283.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 57207345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).