3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one

C16H11FO4 — CID 5408610

IUPAC3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one
SMILESCc1oc2cc(O)ccc2c(=O)c1Oc1ccccc1F
InChIInChI=1S/C16H11FO4/c1-9-16(21-13-5-3-2-4-12(13)17)15(19)11-7-6-10(18)8-14(11)20-9/h2-8,18H,1H3
InChIKeyWYRDFHKSCISXMM-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.74
Rot. Bonds2

About 3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one

3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one (PubChem CID 5408610) has the molecular formula C16H11FO4 and a molecular weight of 286.26 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one
PubChem CID5408610
Molecular FormulaC16H11FO4
Molecular Weight286.26 g/mol
Exact Mass286.06
IUPAC Name3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one
SMILESCc1oc2cc(O)ccc2c(=O)c1Oc1ccccc1F
InChIInChI=1S/C16H11FO4/c1-9-16(21-13-5-3-2-4-12(13)17)15(19)11-7-6-10(18)8-14(11)20-9/h2-8,18H,1H3
InChIKeyWYRDFHKSCISXMM-UHFFFAOYSA-N
XLogP3.74
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-2-methyl-3-(2-phenylphenoxy)chromen-4-one
CID 7140080
7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one
CID 5408165
7-hydroxy-3-(4-iodophenoxy)-2-methylchromen-4-one
CID 5453334
3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5415951
8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5412998
3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
CID 5449307
7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one
CID 7140108
3-benzyl-7-hydroxy-2-methylchromen-4-one
CID 86159483
2-[3-(4-fluorophenoxy)-2-methyl-4-oxochromen-7-yl]oxy-N-(2-fluorophenyl)acetamide
CID 2405473
3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one
CID 2022720
7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one
CID 20514160
[3-(2-bromophenoxy)-2-methyl-4-oxochromen-7-yl] 4-chlorobenzoate
CID 2023733

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one?
The IUPAC name of 3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one (CID 5408610) is 3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one.
What is the SMILES notation for 3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one?
The canonical SMILES for 3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one is Cc1oc2cc(O)ccc2c(=O)c1Oc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one?
The InChIKey is WYRDFHKSCISXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO4/c1-9-16(21-13-5-3-2-4-12(13)17)15(19)11-7-6-10(18)8-14(11)20-9/h2-8,18H,1H3.
What are the key properties of 3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one?
3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one has a molecular weight of 286.26 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one is sourced from PubChem (CID 5408610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).