(3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol

C18H20FNO2 — CID 129351038

IUPAC(3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol
SMILESOCc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO2/c19-16-7-5-15(6-8-16)18-9-17(22)11-20(18)10-13-1-3-14(12-21)4-2-13/h1-8,17-18,21-22H,9-12H2/t17-,18+/m0/s1
InChIKeyUDQDHZHSDKPBDV-ZWKOTPCHSA-N
MW301.36 g/mol
LogP2.63
Rot. Bonds4

About (3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol

(3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol (PubChem CID 129351038) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol
PubChem CID129351038
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol
SMILESOCc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO2/c19-16-7-5-15(6-8-16)18-9-17(22)11-20(18)10-13-1-3-14(12-21)4-2-13/h1-8,17-18,21-22H,9-12H2/t17-,18+/m0/s1
InChIKeyUDQDHZHSDKPBDV-ZWKOTPCHSA-N
XLogP2.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5S)-5-(4-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol
CID 129350956
4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide
CID 129350434
(3R,5S)-1-[[4-(hydroxymethyl)phenyl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100737617
3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 129446978
(3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol
CID 129349173
(3S,5R)-5-(4-fluorophenyl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-3-ol
CID 129351040
(3S,5R)-5-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 129349175
(3R,5S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 129349132
(3S,5R)-5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 129349792
4-[[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 129480577
(3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol
CID 26744252
(3S,5R)-1-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 129350845

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol (CID 129351038) is (3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol is OCc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is UDQDHZHSDKPBDV-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H20FNO2/c19-16-7-5-15(6-8-16)18-9-17(22)11-20(18)10-13-1-3-14(12-21)4-2-13/h1-8,17-18,21-22H,9-12H2/t17-,18+/m0/s1.
What are the key properties of (3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol?
(3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 301.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 129351038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).