1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one

C24H23F2NO5 — CID 46911752

IUPAC1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one
SMILESCOc1cc(-n2ccc(OCc3ccccc3)cc2=O)ccc1OCC1(O)CC(F)(F)C1
InChIInChI=1S/C24H23F2NO5/c1-30-21-11-18(7-8-20(21)32-16-23(29)14-24(25,26)15-23)27-10-9-19(12-22(27)28)31-13-17-5-3-2-4-6-17/h2-12,29H,13-16H2,1H3
InChIKeyLIAOGUUSNAMBHD-UHFFFAOYSA-N
MW443.45 g/mol
LogP3.96
Rot. Bonds8

About 1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one

1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one (PubChem CID 46911752) has the molecular formula C24H23F2NO5 and a molecular weight of 443.45 g/mol. Its IUPAC name is 1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one
PubChem CID46911752
Molecular FormulaC24H23F2NO5
Molecular Weight443.45 g/mol
Exact Mass443.15
IUPAC Name1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one
SMILESCOc1cc(-n2ccc(OCc3ccccc3)cc2=O)ccc1OCC1(O)CC(F)(F)C1
InChIInChI=1S/C24H23F2NO5/c1-30-21-11-18(7-8-20(21)32-16-23(29)14-24(25,26)15-23)27-10-9-19(12-22(27)28)31-13-17-5-3-2-4-6-17/h2-12,29H,13-16H2,1H3
InChIKeyLIAOGUUSNAMBHD-UHFFFAOYSA-N
XLogP3.96
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one (CID 46911752) is 1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one is COc1cc(-n2ccc(OCc3ccccc3)cc2=O)ccc1OCC1(O)CC(F)(F)C1.
What is the InChIKey of 1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is LIAOGUUSNAMBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO5/c1-30-21-11-18(7-8-20(21)32-16-23(29)14-24(25,26)15-23)27-10-9-19(12-22(27)28)31-13-17-5-3-2-4-6-17/h2-12,29H,13-16H2,1H3.
What are the key properties of 1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one?
1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 443.45 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 46911752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).