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

C17H17NO3 — CID 168702567

IUPAC4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one
SMILESCc1ccccc1Oc1ccc(N2CC(O)CC2=O)cc1
InChIInChI=1S/C17H17NO3/c1-12-4-2-3-5-16(12)21-15-8-6-13(7-9-15)18-11-14(19)10-17(18)20/h2-9,14,19H,10-11H2,1H3
InChIKeyVBZGIOBLFTZBLE-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.88
Rot. Bonds3

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

4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one (PubChem CID 168702567) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one
PubChem CID168702567
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one
SMILESCc1ccccc1Oc1ccc(N2CC(O)CC2=O)cc1
InChIInChI=1S/C17H17NO3/c1-12-4-2-3-5-16(12)21-15-8-6-13(7-9-15)18-11-14(19)10-17(18)20/h2-9,14,19H,10-11H2,1H3
InChIKeyVBZGIOBLFTZBLE-UHFFFAOYSA-N
XLogP2.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696853
(3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 7220291
(3S)-N-[4-(2,3-dimethylphenoxy)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004422
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
4-hydroxy-1-[4-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 168702249
1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
CID 168702702
1-[4-(4-methylphenoxy)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708858
4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703419
N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188418
4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one
CID 168702108
1-[4-(4-aminophenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691781

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one (CID 168702567) is 4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one is Cc1ccccc1Oc1ccc(N2CC(O)CC2=O)cc1.
What is the InChIKey of 4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one?
The InChIKey is VBZGIOBLFTZBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-4-2-3-5-16(12)21-15-8-6-13(7-9-15)18-11-14(19)10-17(18)20/h2-9,14,19H,10-11H2,1H3.
What are the key properties of 4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one?
4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168702567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).