2-(4-fluorophenyl)-7-methoxy-2,3-dihydrochromen-4-one

C16H13FO3 — CID 15731432

IUPAC2-(4-fluorophenyl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(c1ccc(F)cc1)CC2=O
InChIInChI=1S/C16H13FO3/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-8,15H,9H2,1H3
InChIKeyLIINIWOYEGBFDA-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.54
Rot. Bonds2

About 2-(4-fluorophenyl)-7-methoxy-2,3-dihydrochromen-4-one

2-(4-fluorophenyl)-7-methoxy-2,3-dihydrochromen-4-one (PubChem CID 15731432) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-methoxy-2,3-dihydrochromen-4-one
PubChem CID15731432
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name2-(4-fluorophenyl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(c1ccc(F)cc1)CC2=O
InChIInChI=1S/C16H13FO3/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-8,15H,9H2,1H3
InChIKeyLIINIWOYEGBFDA-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(4-fluorophenyl)-7-methoxy-2,3-dihydrochromen-4-one (CID 15731432) is 2-(4-fluorophenyl)-7-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-7-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1)OC(c1ccc(F)cc1)CC2=O.
What is the InChIKey of 2-(4-fluorophenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is LIINIWOYEGBFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-8,15H,9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-7-methoxy-2,3-dihydrochromen-4-one?
2-(4-fluorophenyl)-7-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 272.28 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 15731432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).