(3R,4S)-3-[3-hydroxy-5-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one

C18H19NO3 — CID 18633094

IUPAC(3R,4S)-3-[3-hydroxy-5-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one
SMILESCN1C[C@H](c2ccccc2)[C@H](c2cc(O)cc(CO)c2)C1=O
InChIInChI=1S/C18H19NO3/c1-19-10-16(13-5-3-2-4-6-13)17(18(19)22)14-7-12(11-20)8-15(21)9-14/h2-9,16-17,20-21H,10-11H2,1H3/t16-,17+/m1/s1
InChIKeyLYLRLWXINWGZMZ-SJORKVTESA-N
MW297.35 g/mol
LogP2.22
Rot. Bonds3

About (3R,4S)-3-[3-hydroxy-5-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one

(3R,4S)-3-[3-hydroxy-5-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one (PubChem CID 18633094) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (3R,4S)-3-[3-hydroxy-5-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-[3-hydroxy-5-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one
PubChem CID18633094
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(3R,4S)-3-[3-hydroxy-5-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one
SMILESCN1C[C@H](c2ccccc2)[C@H](c2cc(O)cc(CO)c2)C1=O
InChIInChI=1S/C18H19NO3/c1-19-10-16(13-5-3-2-4-6-13)17(18(19)22)14-7-12(11-20)8-15(21)9-14/h2-9,16-17,20-21H,10-11H2,1H3/t16-,17+/m1/s1
InChIKeyLYLRLWXINWGZMZ-SJORKVTESA-N
XLogP2.22
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3-[(S)-hydroxy-(3-hydroxyphenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 139680858
3-[hydroxy-(5-methyl-4-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 69397172
(3S,4S)-3-[2-(2,3-difluorophenyl)acetyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 158173825
(3R,4S)-3-hydroxy-3-[3-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 70394822
(3S,4S)-4-[3-(difluoromethoxymethyl)phenyl]-1-methyl-N-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411796
(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
(3S,4S)-3-[2-(2-cyclopropylphenyl)acetyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 153062373
(3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129497308
[3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol
CID 104549638
1-methyl-3-phenylpiperidin-4-ol;hydrochloride
CID 70615066
(1R,2R,4S,5S,6S,8R)-3-methyl-2,4,6,8-tetraphenyl-3-azabicyclo[3.3.1]nonan-9-one
CID 98127168

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[3-hydroxy-5-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one?
The IUPAC name of (3R,4S)-3-[3-hydroxy-5-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one (CID 18633094) is (3R,4S)-3-[3-hydroxy-5-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (3R,4S)-3-[3-hydroxy-5-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one?
The canonical SMILES for (3R,4S)-3-[3-hydroxy-5-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one is CN1C[C@H](c2ccccc2)[C@H](c2cc(O)cc(CO)c2)C1=O.
What is the InChIKey of (3R,4S)-3-[3-hydroxy-5-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one?
The InChIKey is LYLRLWXINWGZMZ-SJORKVTESA-N. The full InChI is InChI=1S/C18H19NO3/c1-19-10-16(13-5-3-2-4-6-13)17(18(19)22)14-7-12(11-20)8-15(21)9-14/h2-9,16-17,20-21H,10-11H2,1H3/t16-,17+/m1/s1.
What are the key properties of (3R,4S)-3-[3-hydroxy-5-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one?
(3R,4S)-3-[3-hydroxy-5-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one has a molecular weight of 297.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[3-hydroxy-5-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 18633094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).