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

C16H13FO3 — CID 5271543

IUPAC7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2CC(=O)c3ccc(F)cc3O2)cc1
InChIInChI=1S/C16H13FO3/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-8,15H,9H2,1H3
InChIKeyMQUZZZVJAVDIPR-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.54
Rot. Bonds2

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

7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 5271543) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is 7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID5271543
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2CC(=O)c3ccc(F)cc3O2)cc1
InChIInChI=1S/C16H13FO3/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-8,15H,9H2,1H3
InChIKeyMQUZZZVJAVDIPR-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 7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one (CID 5271543) is 7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one is COc1ccc(C2CC(=O)c3ccc(F)cc3O2)cc1.
What is the InChIKey of 7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is MQUZZZVJAVDIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-8,15H,9H2,1H3.
What are the key properties of 7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
7-fluoro-2-(4-methoxyphenyl)-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 7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 5271543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).