4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one

C17H17NO2 — CID 168663566

IUPAC4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c19-12-13-10-17(20)18(11-13)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,13,19H,10-12H2
InChIKeyKJTRLCPSRPNTAX-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.70
Rot. Bonds3

About 4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one

4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one (PubChem CID 168663566) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
PubChem CID168663566
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c19-12-13-10-17(20)18(11-13)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,13,19H,10-12H2
InChIKeyKJTRLCPSRPNTAX-UHFFFAOYSA-N
XLogP2.70
TPSA40.54 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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 166365391
4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
CID 168663596
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 168663581
1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 166365393
1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709962
4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one
CID 166365441
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride
CID 50873745
methyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83726248
1-[4-(4-chlorophenoxy)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 22116043
4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 168662211

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one (CID 168663566) is 4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one?
The InChIKey is KJTRLCPSRPNTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-12-13-10-17(20)18(11-13)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,13,19H,10-12H2.
What are the key properties of 4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168663566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).