4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one

C17H17NO2 — CID 14529704

IUPAC4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)cc1-c1ccccc1
InChIInChI=1S/C17H17NO2/c1-20-16-8-7-13(14-10-17(19)18-11-14)9-15(16)12-5-3-2-4-6-12/h2-9,14H,10-11H2,1H3,(H,18,19)
InChIKeyMXVWDKLIJBFNRO-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.97
Rot. Bonds3

About 4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one

4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one (PubChem CID 14529704) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one
PubChem CID14529704
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)cc1-c1ccccc1
InChIInChI=1S/C17H17NO2/c1-20-16-8-7-13(14-10-17(19)18-11-14)9-15(16)12-5-3-2-4-6-12/h2-9,14H,10-11H2,1H3,(H,18,19)
InChIKeyMXVWDKLIJBFNRO-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one (CID 14529704) is 4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one is COc1ccc(C2CNC(=O)C2)cc1-c1ccccc1.
What is the InChIKey of 4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one?
The InChIKey is MXVWDKLIJBFNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-16-8-7-13(14-10-17(19)18-11-14)9-15(16)12-5-3-2-4-6-12/h2-9,14H,10-11H2,1H3,(H,18,19).
What are the key properties of 4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one?
4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 14529704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).