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

C15H11FO2 — CID 11032058

IUPAC2-(4-fluorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(F)cc2)Oc2ccccc21
InChIInChI=1S/C15H11FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15H,9H2
InChIKeyRFDPVHCUOLBALB-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.53
Rot. Bonds1

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

2-(4-fluorophenyl)-2,3-dihydrochromen-4-one (PubChem CID 11032058) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2,3-dihydrochromen-4-one
PubChem CID11032058
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Name2-(4-fluorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(F)cc2)Oc2ccccc21
InChIInChI=1S/C15H11FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15H,9H2
InChIKeyRFDPVHCUOLBALB-UHFFFAOYSA-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 2-(4-fluorophenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(4-fluorophenyl)-2,3-dihydrochromen-4-one (CID 11032058) is 2-(4-fluorophenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2ccc(F)cc2)Oc2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)-2,3-dihydrochromen-4-one?
The InChIKey is RFDPVHCUOLBALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15H,9H2.
What are the key properties of 2-(4-fluorophenyl)-2,3-dihydrochromen-4-one?
2-(4-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 2-(4-fluorophenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 11032058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).