2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid

C19H14F2O4 — CID 142920502

IUPAC2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(C(=O)Cc3ccccc3)ccc2OC1C(F)F
InChIInChI=1S/C19H14F2O4/c20-18(21)17-14(19(23)24)10-13-9-12(6-7-16(13)25-17)15(22)8-11-4-2-1-3-5-11/h1-7,9-10,17-18H,8H2,(H,23,24)
InChIKeyXPKVROOTEGMBIN-UHFFFAOYSA-N
MW344.31 g/mol
LogP3.61
Rot. Bonds5

About 2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid

2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid (PubChem CID 142920502) has the molecular formula C19H14F2O4 and a molecular weight of 344.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid
PubChem CID142920502
Molecular FormulaC19H14F2O4
Molecular Weight344.31 g/mol
Exact Mass344.09
IUPAC Name2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(C(=O)Cc3ccccc3)ccc2OC1C(F)F
InChIInChI=1S/C19H14F2O4/c20-18(21)17-14(19(23)24)10-13-9-12(6-7-16(13)25-17)15(22)8-11-4-2-1-3-5-11/h1-7,9-10,17-18H,8H2,(H,23,24)
InChIKeyXPKVROOTEGMBIN-UHFFFAOYSA-N
XLogP3.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid;ethane;fluoromethane
CID 142920501
(2S)-6-(2-phenylacetyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 54513165
fluoroethane;2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane
CID 142959151
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone
CID 3468963
6-chloro-2-(1-fluoroethyl)-7-phenyl-2H-chromene-3-carboxylic acid;ethane
CID 142920549
1-dibenzofuran-2-yl-2-phenylethanone
CID 15691957
2-nitro-5-(2-phenylacetyl)benzoic acid
CID 70152751
7-benzyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;ethane
CID 142947310
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone
CID 43297030
ethane;2-methyl-2H-chromene-3-carboxylic acid
CID 91304303
4-phenacylbenzoyl iodide
CID 142013538
1-(4-iodophenyl)-2-phenylethanone
CID 24723884

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid (CID 142920502) is 2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid is O=C(O)C1=Cc2cc(C(=O)Cc3ccccc3)ccc2OC1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid?
The InChIKey is XPKVROOTEGMBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2O4/c20-18(21)17-14(19(23)24)10-13-9-12(6-7-16(13)25-17)15(22)8-11-4-2-1-3-5-11/h1-7,9-10,17-18H,8H2,(H,23,24).
What are the key properties of 2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid?
2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid has a molecular weight of 344.31 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 142920502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).