4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)benzene-5-id-1-yl]pyrrolidin-2-one;yttrium

C18H18NO3Y- — CID 160730477

IUPAC4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)benzene-5-id-1-yl]pyrrolidin-2-one;yttrium
SMILESCc1ccc(Oc2cc[c-]cc2C2C(=O)N(C)CC2O)cc1.[Y]
InChIInChI=1S/C18H18NO3.Y/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;/h4-10,15,17,20H,11H2,1-2H3;/q-1;
InChIKeyHICZBKZSWQLHQY-UHFFFAOYSA-N
MW385.25 g/mol
LogP2.50
Rot. Bonds3

About 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)benzene-5-id-1-yl]pyrrolidin-2-one;yttrium

4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)benzene-5-id-1-yl]pyrrolidin-2-one;yttrium (PubChem CID 160730477) has the molecular formula C18H18NO3Y- and a molecular weight of 385.25 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)benzene-5-id-1-yl]pyrrolidin-2-one;yttrium.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)benzene-5-id-1-yl]pyrrolidin-2-one;yttrium
PubChem CID160730477
Molecular FormulaC18H18NO3Y-
Molecular Weight385.25 g/mol
Exact Mass385.04
IUPAC Name4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)benzene-5-id-1-yl]pyrrolidin-2-one;yttrium
SMILESCc1ccc(Oc2cc[c-]cc2C2C(=O)N(C)CC2O)cc1.[Y]
InChIInChI=1S/C18H18NO3.Y/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;/h4-10,15,17,20H,11H2,1-2H3;/q-1;
InChIKeyHICZBKZSWQLHQY-UHFFFAOYSA-N
XLogP2.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)phenyl]pyrrolidin-2-one
CID 160546612
(1R,2R,6R,7R)-4-[4-(4-methylphenoxy)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124717259
carbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+)
CID 170621892
(3S)-N-[4-(2,3-dimethylphenoxy)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004422
5,6-dibromo-2-[4-(4-methylphenoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 5096893
1-[4-(4-methylphenoxy)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708858
(3aR,5S,6S,7aR)-5,6-dibromo-2-[4-(4-methylphenoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124717686
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
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
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
methane;methylbenzene;yttrium
CID 160876865
methane;methylbenzene;yttrium
CID 158936681

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)benzene-5-id-1-yl]pyrrolidin-2-one;yttrium?
The IUPAC name of 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)benzene-5-id-1-yl]pyrrolidin-2-one;yttrium (CID 160730477) is 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)benzene-5-id-1-yl]pyrrolidin-2-one;yttrium.
What is the SMILES notation for 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)benzene-5-id-1-yl]pyrrolidin-2-one;yttrium?
The canonical SMILES for 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)benzene-5-id-1-yl]pyrrolidin-2-one;yttrium is Cc1ccc(Oc2cc[c-]cc2C2C(=O)N(C)CC2O)cc1.[Y].
What is the InChIKey of 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)benzene-5-id-1-yl]pyrrolidin-2-one;yttrium?
The InChIKey is HICZBKZSWQLHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18NO3.Y/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;/h4-10,15,17,20H,11H2,1-2H3;/q-1;.
What are the key properties of 4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)benzene-5-id-1-yl]pyrrolidin-2-one;yttrium?
4-hydroxy-1-methyl-3-[2-(4-methylphenoxy)benzene-5-id-1-yl]pyrrolidin-2-one;yttrium has a molecular weight of 385.25 g/mol, XLogP of 2.50, 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)benzene-5-id-1-yl]pyrrolidin-2-one;yttrium is sourced from PubChem (CID 160730477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).