(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one

C15H11FO2 — CID 70363390

IUPAC(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1C[C@H](c2cccc(F)c2)Oc2ccccc21
InChIInChI=1S/C15H11FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-8,15H,9H2/t15-/m1/s1
InChIKeyVJWLWZYOUVZZNV-OAHLLOKOSA-N
MW242.25 g/mol
LogP3.53
Rot. Bonds1

About (2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one

(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one (PubChem CID 70363390) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
PubChem CID70363390
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Name(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1C[C@H](c2cccc(F)c2)Oc2ccccc21
InChIInChI=1S/C15H11FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-8,15H,9H2/t15-/m1/s1
InChIKeyVJWLWZYOUVZZNV-OAHLLOKOSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one (CID 70363390) is (2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one is O=C1C[C@H](c2cccc(F)c2)Oc2ccccc21.
What is the InChIKey of (2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one?
The InChIKey is VJWLWZYOUVZZNV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H11FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-8,15H,9H2/t15-/m1/s1.
What are the key properties of (2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one?
(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one has a molecular weight of 242.25 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 70363390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).