3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one

C16H11FO3 — CID 141051987

IUPAC3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one
SMILESO=c1c(CF)c(-c2ccccc2)oc2cc(O)ccc12
InChIInChI=1S/C16H11FO3/c17-9-13-15(19)12-7-6-11(18)8-14(12)20-16(13)10-4-2-1-3-5-10/h1-8,18H,9H2
InChIKeyOBXXQUCXTMUNOC-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.64
Rot. Bonds2

About 3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one

3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one (PubChem CID 141051987) has the molecular formula C16H11FO3 and a molecular weight of 270.26 g/mol. Its IUPAC name is 3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one
PubChem CID141051987
Molecular FormulaC16H11FO3
Molecular Weight270.26 g/mol
Exact Mass270.07
IUPAC Name3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one
SMILESO=c1c(CF)c(-c2ccccc2)oc2cc(O)ccc12
InChIInChI=1S/C16H11FO3/c17-9-13-15(19)12-7-6-11(18)8-14(12)20-16(13)10-4-2-1-3-5-10/h1-8,18H,9H2
InChIKeyOBXXQUCXTMUNOC-UHFFFAOYSA-N
XLogP3.64
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-7-hydroxy-2-methylchromen-4-one
CID 86159483
3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane
CID 157253645
7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one
CID 135027989
7-hydroxy-2-phenylchromen-4-one
CID 5281894
7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one
CID 44572773
3-benzyl-4,7-dihydroxychromen-2-one
CID 54682330
2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one
CID 153409103
7-hydroxy-3,4-bis(hydroxymethyl)chromen-2-one
CID 58676736
3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one
CID 152720481
(3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one
CID 13375265
7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one
CID 5408165
3,6,7-trihydroxy-2-phenylchromen-4-one
CID 141151974

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one?
The IUPAC name of 3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one (CID 141051987) is 3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one?
The canonical SMILES for 3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one is O=c1c(CF)c(-c2ccccc2)oc2cc(O)ccc12.
What is the InChIKey of 3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one?
The InChIKey is OBXXQUCXTMUNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO3/c17-9-13-15(19)12-7-6-11(18)8-14(12)20-16(13)10-4-2-1-3-5-10/h1-8,18H,9H2.
What are the key properties of 3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one?
3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one has a molecular weight of 270.26 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 141051987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).