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

C16H13FO3 — CID 114674776

IUPAC7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1cccc(C2CC(=O)c3ccc(F)cc3O2)c1
InChIInChI=1S/C16H13FO3/c1-19-12-4-2-3-10(7-12)15-9-14(18)13-6-5-11(17)8-16(13)20-15/h2-8,15H,9H2,1H3
InChIKeyAEILIDWJJGORLU-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.54
Rot. Bonds2

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

7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 114674776) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is 7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID114674776
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1cccc(C2CC(=O)c3ccc(F)cc3O2)c1
InChIInChI=1S/C16H13FO3/c1-19-12-4-2-3-10(7-12)15-9-14(18)13-6-5-11(17)8-16(13)20-15/h2-8,15H,9H2,1H3
InChIKeyAEILIDWJJGORLU-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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Related Compounds

7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543
7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 114674580
2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672505
2-(4-fluoro-3-methylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672406
2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672632
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
2-(3,5-dichlorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674547
2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674557
2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674698
(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
CID 70363390
7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713587

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one (CID 114674776) is 7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one is COc1cccc(C2CC(=O)c3ccc(F)cc3O2)c1.
What is the InChIKey of 7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is AEILIDWJJGORLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-19-12-4-2-3-10(7-12)15-9-14(18)13-6-5-11(17)8-16(13)20-15/h2-8,15H,9H2,1H3.
What are the key properties of 7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one?
7-fluoro-2-(3-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-(3-methoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114674776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).