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

C16H13FO2 — CID 46232079

IUPAC(2R)-7-fluoro-2-(4-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1ccc([C@H]2CC(=O)c3ccc(F)cc3O2)cc1
InChIInChI=1S/C16H13FO2/c1-10-2-4-11(5-3-10)15-9-14(18)13-7-6-12(17)8-16(13)19-15/h2-8,15H,9H2,1H3/t15-/m1/s1
InChIKeyQNQXLNDULBVXEX-OAHLLOKOSA-N
MW256.28 g/mol
LogP3.84
Rot. Bonds1

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

(2R)-7-fluoro-2-(4-methylphenyl)-2,3-dihydrochromen-4-one (PubChem CID 46232079) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is (2R)-7-fluoro-2-(4-methylphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-7-fluoro-2-(4-methylphenyl)-2,3-dihydrochromen-4-one
PubChem CID46232079
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name(2R)-7-fluoro-2-(4-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1ccc([C@H]2CC(=O)c3ccc(F)cc3O2)cc1
InChIInChI=1S/C16H13FO2/c1-10-2-4-11(5-3-10)15-9-14(18)13-7-6-12(17)8-16(13)19-15/h2-8,15H,9H2,1H3/t15-/m1/s1
InChIKeyQNQXLNDULBVXEX-OAHLLOKOSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-7-fluoro-2-(4-methylphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-7-fluoro-2-(4-methylphenyl)-2,3-dihydrochromen-4-one (CID 46232079) is (2R)-7-fluoro-2-(4-methylphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-7-fluoro-2-(4-methylphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-7-fluoro-2-(4-methylphenyl)-2,3-dihydrochromen-4-one is Cc1ccc([C@H]2CC(=O)c3ccc(F)cc3O2)cc1.
What is the InChIKey of (2R)-7-fluoro-2-(4-methylphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is QNQXLNDULBVXEX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13FO2/c1-10-2-4-11(5-3-10)15-9-14(18)13-7-6-12(17)8-16(13)19-15/h2-8,15H,9H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-7-fluoro-2-(4-methylphenyl)-2,3-dihydrochromen-4-one?
(2R)-7-fluoro-2-(4-methylphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 256.28 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-fluoro-2-(4-methylphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 46232079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).