4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)phenyl]pyrrolidin-2-one

C18H19NO3 — CID 160546612

IUPAC4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)phenyl]pyrrolidin-2-one
SMILESCc1ccc(Oc2ccccc2C2C(=O)N(C)CC2O)cc1
InChIInChI=1S/C18H19NO3/c1-12-7-9-13(10-8-12)22-16-6-4-3-5-14(16)17-15(20)11-19(2)18(17)21/h3-10,15,17,20H,11H2,1-2H3
InChIKeyAKIMSTBCYOMPJS-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.70
Rot. Bonds3

About 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)phenyl]pyrrolidin-2-one

4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)phenyl]pyrrolidin-2-one (PubChem CID 160546612) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)phenyl]pyrrolidin-2-one
PubChem CID160546612
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)phenyl]pyrrolidin-2-one
SMILESCc1ccc(Oc2ccccc2C2C(=O)N(C)CC2O)cc1
InChIInChI=1S/C18H19NO3/c1-12-7-9-13(10-8-12)22-16-6-4-3-5-14(16)17-15(20)11-19(2)18(17)21/h3-10,15,17,20H,11H2,1-2H3
InChIKeyAKIMSTBCYOMPJS-UHFFFAOYSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)benzene-5-id-1-yl]pyrrolidin-2-one;yttrium
CID 160730477
4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 118535332
17-[4-(2,3-dimethylphenoxy)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2898130
4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one
CID 168702567
1,5-bis(4-methylphenoxy)naphthalene;methane
CID 159940982
(3S)-N-[4-(2,3-dimethylphenoxy)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004422
(1R,2R,6R,7R)-4-[4-(4-methylphenoxy)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124717259
2-[2-(4-methylphenoxy)phenyl]acetyl chloride
CID 173381947
(15R,19S)-17-(4-methylphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1375546
4,17-dimethyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-3-one
CID 158548363
2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 114327448
2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione
CID 765583

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)phenyl]pyrrolidin-2-one (CID 160546612) is 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)phenyl]pyrrolidin-2-one is Cc1ccc(Oc2ccccc2C2C(=O)N(C)CC2O)cc1.
What is the InChIKey of 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)phenyl]pyrrolidin-2-one?
The InChIKey is AKIMSTBCYOMPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12-7-9-13(10-8-12)22-16-6-4-3-5-14(16)17-15(20)11-19(2)18(17)21/h3-10,15,17,20H,11H2,1-2H3.
What are the key properties of 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)phenyl]pyrrolidin-2-one?
4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)phenyl]pyrrolidin-2-one has a molecular weight of 297.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 160546612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).