1-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one

C20H20FNO2 — CID 143008439

IUPAC1-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one
SMILESCc1c(OCc2ccccc2)ccn(CC2=CC=CC(F)C2)c1=O
InChIInChI=1S/C20H20FNO2/c1-15-19(24-14-16-6-3-2-4-7-16)10-11-22(20(15)23)13-17-8-5-9-18(21)12-17/h2-11,18H,12-14H2,1H3
InChIKeyOIDHKWUJJXSYLY-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.96
Rot. Bonds5

About 1-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one

1-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one (PubChem CID 143008439) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one
PubChem CID143008439
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name1-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one
SMILESCc1c(OCc2ccccc2)ccn(CC2=CC=CC(F)C2)c1=O
InChIInChI=1S/C20H20FNO2/c1-15-19(24-14-16-6-3-2-4-7-16)10-11-22(20(15)23)13-17-8-5-9-18(21)12-17/h2-11,18H,12-14H2,1H3
InChIKeyOIDHKWUJJXSYLY-UHFFFAOYSA-N
XLogP3.96
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one (CID 143008439) is 1-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one is Cc1c(OCc2ccccc2)ccn(CC2=CC=CC(F)C2)c1=O.
What is the InChIKey of 1-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one?
The InChIKey is OIDHKWUJJXSYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-15-19(24-14-16-6-3-2-4-7-16)10-11-22(20(15)23)13-17-8-5-9-18(21)12-17/h2-11,18H,12-14H2,1H3.
What are the key properties of 1-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one?
1-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one has a molecular weight of 325.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 143008439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).