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

C16H13FO2 — CID 169422656

IUPAC7-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1cccc(-c2ccc3c(c2)OCCC3=O)c1F
InChIInChI=1S/C16H13FO2/c1-10-3-2-4-12(16(10)17)11-5-6-13-14(18)7-8-19-15(13)9-11/h2-6,9H,7-8H2,1H3
InChIKeyHNOWRYIZUQTAHG-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.77
Rot. Bonds1

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

7-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one (PubChem CID 169422656) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 7-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one
PubChem CID169422656
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name7-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1cccc(-c2ccc3c(c2)OCCC3=O)c1F
InChIInChI=1S/C16H13FO2/c1-10-3-2-4-12(16(10)17)11-5-6-13-14(18)7-8-19-15(13)9-11/h2-6,9H,7-8H2,1H3
InChIKeyHNOWRYIZUQTAHG-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one (CID 169422656) is 7-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one is Cc1cccc(-c2ccc3c(c2)OCCC3=O)c1F.
What is the InChIKey of 7-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is HNOWRYIZUQTAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2/c1-10-3-2-4-12(16(10)17)11-5-6-13-14(18)7-8-19-15(13)9-11/h2-6,9H,7-8H2,1H3.
What are the key properties of 7-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one?
7-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 256.28 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 169422656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).