7-(2-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one

C16H13FO3 — CID 169422652

IUPAC7-(2-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(-c2ccc3c(c2)OCCC3=O)c(F)c1
InChIInChI=1S/C16H13FO3/c1-19-11-3-5-12(14(17)9-11)10-2-4-13-15(18)6-7-20-16(13)8-10/h2-5,8-9H,6-7H2,1H3
InChIKeyFKCYIMNDBLCOFY-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.47
Rot. Bonds2

About 7-(2-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one

7-(2-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 169422652) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is 7-(2-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-(2-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID169422652
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name7-(2-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(-c2ccc3c(c2)OCCC3=O)c(F)c1
InChIInChI=1S/C16H13FO3/c1-19-11-3-5-12(14(17)9-11)10-2-4-13-15(18)6-7-20-16(13)8-10/h2-5,8-9H,6-7H2,1H3
InChIKeyFKCYIMNDBLCOFY-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-(2-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one (CID 169422652) is 7-(2-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-(2-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-(2-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one is COc1ccc(-c2ccc3c(c2)OCCC3=O)c(F)c1.
What is the InChIKey of 7-(2-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is FKCYIMNDBLCOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-19-11-3-5-12(14(17)9-11)10-2-4-13-15(18)6-7-20-16(13)8-10/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 7-(2-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one?
7-(2-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 272.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 169422652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).