(3S,5R)-3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-ol

C19H23NO2 — CID 129189553

IUPAC(3S,5R)-3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-ol
SMILESC[C@@]1(CO)C[C@@H](Cc2ccc(-c3ccccc3)cc2)NC1O
InChIInChI=1S/C19H23NO2/c1-19(13-21)12-17(20-18(19)22)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,17-18,20-22H,11-13H2,1H3/t17-,18?,19+/m1/s1
InChIKeyLVLINMGOPOKLQP-KGNCLDLBSA-N
MW297.40 g/mol
LogP2.58
Rot. Bonds4

About (3S,5R)-3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-ol

(3S,5R)-3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-ol (PubChem CID 129189553) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3S,5R)-3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-ol.

Molecular Properties

Compound Name(3S,5R)-3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-ol
PubChem CID129189553
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(3S,5R)-3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-ol
SMILESC[C@@]1(CO)C[C@@H](Cc2ccc(-c3ccccc3)cc2)NC1O
InChIInChI=1S/C19H23NO2/c1-19(13-21)12-17(20-18(19)22)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,17-18,20-22H,11-13H2,1H3/t17-,18?,19+/m1/s1
InChIKeyLVLINMGOPOKLQP-KGNCLDLBSA-N
XLogP2.58
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpropan-2-yl)oxycarbonyl 3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxylate
CID 123585799
(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde
CID 174601428
(5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine
CID 143719660
(5R)-3,3-dimethyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5R)-1-(2,2-dimethylpropanoyl)-3,3-dimethyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 161226579
formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane
CID 143719686
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081
4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one
CID 170381802
(5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one
CID 59884098
(3R,5R)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]pyrrolidin-3-ol
CID 70210957
3,3-dimethyl-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 3024932
6-benzylpiperidin-2-ol
CID 163764963
[1-[(4-phenylphenyl)methyl]cyclopropyl]methanol
CID 116928854

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-ol?
The IUPAC name of (3S,5R)-3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-ol (CID 129189553) is (3S,5R)-3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-ol.
What is the SMILES notation for (3S,5R)-3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-ol?
The canonical SMILES for (3S,5R)-3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-ol is C[C@@]1(CO)C[C@@H](Cc2ccc(-c3ccccc3)cc2)NC1O.
What is the InChIKey of (3S,5R)-3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-ol?
The InChIKey is LVLINMGOPOKLQP-KGNCLDLBSA-N. The full InChI is InChI=1S/C19H23NO2/c1-19(13-21)12-17(20-18(19)22)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,17-18,20-22H,11-13H2,1H3/t17-,18?,19+/m1/s1.
What are the key properties of (3S,5R)-3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-ol?
(3S,5R)-3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-ol has a molecular weight of 297.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-ol is sourced from PubChem (CID 129189553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).