1-benzyl-3-(6-fluoro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridin-2-one

C23H22FNO3 — CID 14857310

IUPAC1-benzyl-3-(6-fluoro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridin-2-one
SMILESCC1(C)Oc2ccc(F)cc2C(c2cccn(Cc3ccccc3)c2=O)C1O
InChIInChI=1S/C23H22FNO3/c1-23(2)21(26)20(18-13-16(24)10-11-19(18)28-23)17-9-6-12-25(22(17)27)14-15-7-4-3-5-8-15/h3-13,20-21,26H,14H2,1-2H3
InChIKeyPRBJVLIKHYRIQF-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.70
Rot. Bonds3

About 1-benzyl-3-(6-fluoro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridin-2-one

1-benzyl-3-(6-fluoro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridin-2-one (PubChem CID 14857310) has the molecular formula C23H22FNO3 and a molecular weight of 379.43 g/mol. Its IUPAC name is 1-benzyl-3-(6-fluoro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(6-fluoro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridin-2-one
PubChem CID14857310
Molecular FormulaC23H22FNO3
Molecular Weight379.43 g/mol
Exact Mass379.16
IUPAC Name1-benzyl-3-(6-fluoro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridin-2-one
SMILESCC1(C)Oc2ccc(F)cc2C(c2cccn(Cc3ccccc3)c2=O)C1O
InChIInChI=1S/C23H22FNO3/c1-23(2)21(26)20(18-13-16(24)10-11-19(18)28-23)17-9-6-12-25(22(17)27)14-15-7-4-3-5-8-15/h3-13,20-21,26H,14H2,1-2H3
InChIKeyPRBJVLIKHYRIQF-UHFFFAOYSA-N
XLogP3.70
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(6-fluoro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridin-2-one?
The IUPAC name of 1-benzyl-3-(6-fluoro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridin-2-one (CID 14857310) is 1-benzyl-3-(6-fluoro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-(6-fluoro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridin-2-one?
The canonical SMILES for 1-benzyl-3-(6-fluoro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridin-2-one is CC1(C)Oc2ccc(F)cc2C(c2cccn(Cc3ccccc3)c2=O)C1O.
What is the InChIKey of 1-benzyl-3-(6-fluoro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridin-2-one?
The InChIKey is PRBJVLIKHYRIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO3/c1-23(2)21(26)20(18-13-16(24)10-11-19(18)28-23)17-9-6-12-25(22(17)27)14-15-7-4-3-5-8-15/h3-13,20-21,26H,14H2,1-2H3.
What are the key properties of 1-benzyl-3-(6-fluoro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridin-2-one?
1-benzyl-3-(6-fluoro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridin-2-one has a molecular weight of 379.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(6-fluoro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridin-2-one is sourced from PubChem (CID 14857310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).