7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one

C19H14F2O4 — CID 7967871

IUPAC7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(O[C@H](C)C(=O)c3ccc(F)c(F)c3)ccc12
InChIInChI=1S/C19H14F2O4/c1-10-7-18(22)25-17-9-13(4-5-14(10)17)24-11(2)19(23)12-3-6-15(20)16(21)8-12/h3-9,11H,1-2H3/t11-/m1/s1
InChIKeyGBJKTZFPHQKGDX-LLVKDONJSA-N
MW344.31 g/mol
LogP4.03
Rot. Bonds4

About 7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one

7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one (PubChem CID 7967871) has the molecular formula C19H14F2O4 and a molecular weight of 344.31 g/mol. Its IUPAC name is 7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
PubChem CID7967871
Molecular FormulaC19H14F2O4
Molecular Weight344.31 g/mol
Exact Mass344.09
IUPAC Name7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(O[C@H](C)C(=O)c3ccc(F)c(F)c3)ccc12
InChIInChI=1S/C19H14F2O4/c1-10-7-18(22)25-17-9-13(4-5-14(10)17)24-11(2)19(23)12-3-6-15(20)16(21)8-12/h3-9,11H,1-2H3/t11-/m1/s1
InChIKeyGBJKTZFPHQKGDX-LLVKDONJSA-N
XLogP4.03
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7967902
7-[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7967815
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one
CID 64866959
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7967924
2-methylpropyl 2-(4-methyl-2-oxochromen-7-yl)oxypropanoate
CID 23883278
N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 16544795
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864
(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
CID 7967896
(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 928071
(2S)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 7299769

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one?
The IUPAC name of 7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one (CID 7967871) is 7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one.
What is the SMILES notation for 7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one?
The canonical SMILES for 7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one is Cc1cc(=O)oc2cc(O[C@H](C)C(=O)c3ccc(F)c(F)c3)ccc12.
What is the InChIKey of 7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one?
The InChIKey is GBJKTZFPHQKGDX-LLVKDONJSA-N. The full InChI is InChI=1S/C19H14F2O4/c1-10-7-18(22)25-17-9-13(4-5-14(10)17)24-11(2)19(23)12-3-6-15(20)16(21)8-12/h3-9,11H,1-2H3/t11-/m1/s1.
What are the key properties of 7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one?
7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one has a molecular weight of 344.31 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one is sourced from PubChem (CID 7967871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).