2-(4-fluoro-3-methoxyphenyl)chromen-4-one

C16H11FO3 — CID 134910411

IUPAC2-(4-fluoro-3-methoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2cc(=O)c3ccccc3o2)ccc1F
InChIInChI=1S/C16H11FO3/c1-19-16-8-10(6-7-12(16)17)15-9-13(18)11-4-2-3-5-14(11)20-15/h2-9H,1H3
InChIKeyNIHNXCYUWIBBOD-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.61
Rot. Bonds2

About 2-(4-fluoro-3-methoxyphenyl)chromen-4-one

2-(4-fluoro-3-methoxyphenyl)chromen-4-one (PubChem CID 134910411) has the molecular formula C16H11FO3 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)chromen-4-one
PubChem CID134910411
Molecular FormulaC16H11FO3
Molecular Weight270.26 g/mol
Exact Mass270.07
IUPAC Name2-(4-fluoro-3-methoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2cc(=O)c3ccccc3o2)ccc1F
InChIInChI=1S/C16H11FO3/c1-19-16-8-10(6-7-12(16)17)15-9-13(18)11-4-2-3-5-14(11)20-15/h2-9H,1H3
InChIKeyNIHNXCYUWIBBOD-UHFFFAOYSA-N
XLogP3.61
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one
CID 102579300
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136
2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
CID 86059964
2-phenylchromen-4-one
CID 90124083
2-(2-methoxynaphthalen-1-yl)chromen-4-one
CID 71394280
copper;2-phenylchromen-4-one
CID 175169427
6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 177477237
2-[4-[(E)-methoxyiminomethyl]phenyl]chromen-4-one
CID 10684060
2-(4-nitrophenyl)chromen-4-one
CID 622510
2-(4-acetylphenyl)chromen-4-one
CID 66553887
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 100995351

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)chromen-4-one?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)chromen-4-one (CID 134910411) is 2-(4-fluoro-3-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)chromen-4-one?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)chromen-4-one is COc1cc(-c2cc(=O)c3ccccc3o2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)chromen-4-one?
The InChIKey is NIHNXCYUWIBBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO3/c1-19-16-8-10(6-7-12(16)17)15-9-13(18)11-4-2-3-5-14(11)20-15/h2-9H,1H3.
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)chromen-4-one?
2-(4-fluoro-3-methoxyphenyl)chromen-4-one has a molecular weight of 270.26 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 134910411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).