5-(hydroxymethyl)-1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidin-2-one

C20H23NO4 — CID 70667387

IUPAC5-(hydroxymethyl)-1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidin-2-one
SMILESCOc1ccc(COCc2ccc(N3C(=O)CCC3CO)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-24-19-9-4-16(5-10-19)14-25-13-15-2-6-17(7-3-15)21-18(12-22)8-11-20(21)23/h2-7,9-10,18,22H,8,11-14H2,1H3
InChIKeySIAHXIUOPINMPC-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.90
Rot. Bonds7

About 5-(hydroxymethyl)-1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidin-2-one

5-(hydroxymethyl)-1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidin-2-one (PubChem CID 70667387) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidin-2-one
PubChem CID70667387
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name5-(hydroxymethyl)-1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidin-2-one
SMILESCOc1ccc(COCc2ccc(N3C(=O)CCC3CO)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-24-19-9-4-16(5-10-19)14-25-13-15-2-6-17(7-3-15)21-18(12-22)8-11-20(21)23/h2-7,9-10,18,22H,8,11-14H2,1H3
InChIKeySIAHXIUOPINMPC-UHFFFAOYSA-N
XLogP2.90
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidin-2-one (CID 70667387) is 5-(hydroxymethyl)-1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidin-2-one is COc1ccc(COCc2ccc(N3C(=O)CCC3CO)cc2)cc1.
What is the InChIKey of 5-(hydroxymethyl)-1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidin-2-one?
The InChIKey is SIAHXIUOPINMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-24-19-9-4-16(5-10-19)14-25-13-15-2-6-17(7-3-15)21-18(12-22)8-11-20(21)23/h2-7,9-10,18,22H,8,11-14H2,1H3.
What are the key properties of 5-(hydroxymethyl)-1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidin-2-one?
5-(hydroxymethyl)-1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidin-2-one has a molecular weight of 341.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 70667387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).