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

C24H22ClF2NO5 — CID 46911614

IUPAC4-[(4-chlorophenyl)methoxy]-1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]pyridin-2-one
SMILESCOc1cc(-n2ccc(OCc3ccc(Cl)cc3)cc2=O)ccc1OCC1(O)CC(F)(F)C1
InChIInChI=1S/C24H22ClF2NO5/c1-31-21-10-18(6-7-20(21)33-15-23(30)13-24(26,27)14-23)28-9-8-19(11-22(28)29)32-12-16-2-4-17(25)5-3-16/h2-11,30H,12-15H2,1H3
InChIKeyOZQKLZDGXTYKQV-UHFFFAOYSA-N
MW477.89 g/mol
LogP4.62
Rot. Bonds8

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

4-[(4-chlorophenyl)methoxy]-1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]pyridin-2-one (PubChem CID 46911614) has the molecular formula C24H22ClF2NO5 and a molecular weight of 477.89 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]pyridin-2-one
PubChem CID46911614
Molecular FormulaC24H22ClF2NO5
Molecular Weight477.89 g/mol
Exact Mass477.12
IUPAC Name4-[(4-chlorophenyl)methoxy]-1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]pyridin-2-one
SMILESCOc1cc(-n2ccc(OCc3ccc(Cl)cc3)cc2=O)ccc1OCC1(O)CC(F)(F)C1
InChIInChI=1S/C24H22ClF2NO5/c1-31-21-10-18(6-7-20(21)33-15-23(30)13-24(26,27)14-23)28-9-8-19(11-22(28)29)32-12-16-2-4-17(25)5-3-16/h2-11,30H,12-15H2,1H3
InChIKeyOZQKLZDGXTYKQV-UHFFFAOYSA-N
XLogP4.62
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.89
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]pyridin-2-one?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]pyridin-2-one (CID 46911614) is 4-[(4-chlorophenyl)methoxy]-1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]pyridin-2-one?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]pyridin-2-one is COc1cc(-n2ccc(OCc3ccc(Cl)cc3)cc2=O)ccc1OCC1(O)CC(F)(F)C1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]pyridin-2-one?
The InChIKey is OZQKLZDGXTYKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2NO5/c1-31-21-10-18(6-7-20(21)33-15-23(30)13-24(26,27)14-23)28-9-8-19(11-22(28)29)32-12-16-2-4-17(25)5-3-16/h2-11,30H,12-15H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]pyridin-2-one?
4-[(4-chlorophenyl)methoxy]-1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]pyridin-2-one has a molecular weight of 477.89 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]pyridin-2-one is sourced from PubChem (CID 46911614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).