1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone

C18H14FNO3 — CID 71248663

IUPAC1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone
SMILESCOc1ccc(/N=c2\oc3ccc(F)cc3cc2C(C)=O)cc1
InChIInChI=1S/C18H14FNO3/c1-11(21)16-10-12-9-13(19)3-8-17(12)23-18(16)20-14-4-6-15(22-2)7-5-14/h3-10H,1-2H3/b20-18-
InChIKeyZYHSGWWPKDRIRY-ZZEZOPTASA-N
MW311.31 g/mol
LogP4.02
Rot. Bonds3

About 1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone

1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone (PubChem CID 71248663) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone
PubChem CID71248663
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone
SMILESCOc1ccc(/N=c2\oc3ccc(F)cc3cc2C(C)=O)cc1
InChIInChI=1S/C18H14FNO3/c1-11(21)16-10-12-9-13(19)3-8-17(12)23-18(16)20-14-4-6-15(22-2)7-5-14/h3-10H,1-2H3/b20-18-
InChIKeyZYHSGWWPKDRIRY-ZZEZOPTASA-N
XLogP4.02
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone?
The IUPAC name of 1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone (CID 71248663) is 1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone.
What is the SMILES notation for 1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone?
The canonical SMILES for 1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone is COc1ccc(/N=c2\oc3ccc(F)cc3cc2C(C)=O)cc1.
What is the InChIKey of 1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone?
The InChIKey is ZYHSGWWPKDRIRY-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H14FNO3/c1-11(21)16-10-12-9-13(19)3-8-17(12)23-18(16)20-14-4-6-15(22-2)7-5-14/h3-10H,1-2H3/b20-18-.
What are the key properties of 1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone?
1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone has a molecular weight of 311.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone is sourced from PubChem (CID 71248663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).