5-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one

C18H16FNO2 — CID 24747286

IUPAC5-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one
SMILESCOc1ccc(C2=CC(=O)CC(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H16FNO2/c1-22-18-7-4-13(11-20-18)15-8-14(9-17(21)10-15)12-2-5-16(19)6-3-12/h2-7,10-11,14H,8-9H2,1H3
InChIKeyPBEHURCTSRDWSJ-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.76
Rot. Bonds3

About 5-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one

5-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one (PubChem CID 24747286) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one
PubChem CID24747286
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name5-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one
SMILESCOc1ccc(C2=CC(=O)CC(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H16FNO2/c1-22-18-7-4-13(11-20-18)15-8-14(9-17(21)10-15)12-2-5-16(19)6-3-12/h2-7,10-11,14H,8-9H2,1H3
InChIKeyPBEHURCTSRDWSJ-UHFFFAOYSA-N
XLogP3.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one?
The IUPAC name of 5-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one (CID 24747286) is 5-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one is COc1ccc(C2=CC(=O)CC(c3ccc(F)cc3)C2)cn1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one?
The InChIKey is PBEHURCTSRDWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-22-18-7-4-13(11-20-18)15-8-14(9-17(21)10-15)12-2-5-16(19)6-3-12/h2-7,10-11,14H,8-9H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one?
5-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one has a molecular weight of 297.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one is sourced from PubChem (CID 24747286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).