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

C18H21NO — CID 116860322

IUPAC2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol
SMILESOCC(c1ccc(-c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C18H21NO/c20-14-18(19-12-4-5-13-19)17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11,18,20H,4-5,12-14H2
InChIKeyGEKSDISEUHVBQV-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.48
Rot. Bonds4

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

2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol (PubChem CID 116860322) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol
PubChem CID116860322
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol
SMILESOCC(c1ccc(-c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C18H21NO/c20-14-18(19-12-4-5-13-19)17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11,18,20H,4-5,12-14H2
InChIKeyGEKSDISEUHVBQV-UHFFFAOYSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol
CID 82086606
3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83936530
2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 54775908
2-(4-ethylphenyl)-2-piperidin-1-ylethanol
CID 54775819
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol
CID 116860102
(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189192
2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860294
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile
CID 43802794
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292149
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride
CID 171181994

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol?
The IUPAC name of 2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol (CID 116860322) is 2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol?
The canonical SMILES for 2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol is OCC(c1ccc(-c2ccccc2)cc1)N1CCCC1.
What is the InChIKey of 2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol?
The InChIKey is GEKSDISEUHVBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c20-14-18(19-12-4-5-13-19)17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11,18,20H,4-5,12-14H2.
What are the key properties of 2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol?
2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol has a molecular weight of 267.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 116860322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).