3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol

C22H37NO2 — CID 67855090

IUPAC3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol
SMILESCCCCCCCCCCCCC1C(c2ccccc2)CN(O)C1O
InChIInChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-14-17-20-21(18-23(25)22(20)24)19-15-12-11-13-16-19/h11-13,15-16,20-22,24-25H,2-10,14,17-18H2,1H3
InChIKeyFNFRGKOSYDLGDW-UHFFFAOYSA-N
MW347.54 g/mol
LogP5.72
Rot. Bonds12

About 3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol

3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol (PubChem CID 67855090) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is 3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol.

Molecular Properties

Compound Name3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol
PubChem CID67855090
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC Name3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol
SMILESCCCCCCCCCCCCC1C(c2ccccc2)CN(O)C1O
InChIInChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-14-17-20-21(18-23(25)22(20)24)19-15-12-11-13-16-19/h11-13,15-16,20-22,24-25H,2-10,14,17-18H2,1H3
InChIKeyFNFRGKOSYDLGDW-UHFFFAOYSA-N
XLogP5.72
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
3-cyclohexyl-1-(2-methyl-3-pentyl-4-phenylpyrrolidin-1-yl)propan-1-one
CID 143491282
4-[1-(4-hydroxy-3-phenylcyclohexyl)heptyl]-2-phenylcyclohexan-1-ol
CID 139824958
6-decyl-1-hydroxy-3-phenylpiperidin-2-one
CID 56985984
tert-butyl (2R,3S)-2-hexyl-3-phenylazetidine-1-carboxylate
CID 11278560
2-octyl-4-phenylcyclohexan-1-ol
CID 63461451
7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid
CID 24758344
2-nonylcyclopentane-1,3-diol
CID 163304158
(4S,6S)-1-hydroxy-6-octadecyl-4-phenylpiperidin-2-one
CID 67827026
1-butyl-3,4-diphenylpiperidine;hydrochloride
CID 3030420
[(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol
CID 70364830
[(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol
CID 102330777

Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol?
The IUPAC name of 3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol (CID 67855090) is 3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol.
What is the SMILES notation for 3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol?
The canonical SMILES for 3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol is CCCCCCCCCCCCC1C(c2ccccc2)CN(O)C1O.
What is the InChIKey of 3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol?
The InChIKey is FNFRGKOSYDLGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-14-17-20-21(18-23(25)22(20)24)19-15-12-11-13-16-19/h11-13,15-16,20-22,24-25H,2-10,14,17-18H2,1H3.
What are the key properties of 3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol?
3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol has a molecular weight of 347.54 g/mol, XLogP of 5.72, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol is sourced from PubChem (CID 67855090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).