2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid

C17H10F2O4 — CID 19741674

IUPAC2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid
SMILESO=C(O)Cc1cccc2c(=O)cc(-c3c(F)cccc3F)oc12
InChIInChI=1S/C17H10F2O4/c18-11-5-2-6-12(19)16(11)14-8-13(20)10-4-1-3-9(7-15(21)22)17(10)23-14/h1-6,8H,7H2,(H,21,22)
InChIKeyYVJHRNSTFPAKLR-UHFFFAOYSA-N
MW316.26 g/mol
LogP3.37
Rot. Bonds3

About 2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid

2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid (PubChem CID 19741674) has the molecular formula C17H10F2O4 and a molecular weight of 316.26 g/mol. Its IUPAC name is 2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid
PubChem CID19741674
Molecular FormulaC17H10F2O4
Molecular Weight316.26 g/mol
Exact Mass316.05
IUPAC Name2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid
SMILESO=C(O)Cc1cccc2c(=O)cc(-c3c(F)cccc3F)oc12
InChIInChI=1S/C17H10F2O4/c18-11-5-2-6-12(19)16(11)14-8-13(20)10-4-1-3-9(7-15(21)22)17(10)23-14/h1-6,8H,7H2,(H,21,22)
InChIKeyYVJHRNSTFPAKLR-UHFFFAOYSA-N
XLogP3.37
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid?
The IUPAC name of 2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid (CID 19741674) is 2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid?
The canonical SMILES for 2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid is O=C(O)Cc1cccc2c(=O)cc(-c3c(F)cccc3F)oc12.
What is the InChIKey of 2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid?
The InChIKey is YVJHRNSTFPAKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2O4/c18-11-5-2-6-12(19)16(11)14-8-13(20)10-4-1-3-9(7-15(21)22)17(10)23-14/h1-6,8H,7H2,(H,21,22).
What are the key properties of 2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid?
2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid has a molecular weight of 316.26 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid is sourced from PubChem (CID 19741674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).