2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid

C17H12F2O5 — CID 159150938

IUPAC2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid
SMILESO=C1CC(c2ccccc2)Oc2cc(OC(F)(F)C(=O)O)ccc21
InChIInChI=1S/C17H12F2O5/c18-17(19,16(21)22)24-11-6-7-12-13(20)9-14(23-15(12)8-11)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,21,22)
InChIKeyKWMYDOQJUIEMML-UHFFFAOYSA-N
MW334.27 g/mol
LogP3.45
Rot. Bonds4

About 2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid

2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid (PubChem CID 159150938) has the molecular formula C17H12F2O5 and a molecular weight of 334.27 g/mol. Its IUPAC name is 2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid
PubChem CID159150938
Molecular FormulaC17H12F2O5
Molecular Weight334.27 g/mol
Exact Mass334.07
IUPAC Name2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid
SMILESO=C1CC(c2ccccc2)Oc2cc(OC(F)(F)C(=O)O)ccc21
InChIInChI=1S/C17H12F2O5/c18-17(19,16(21)22)24-11-6-7-12-13(20)9-14(23-15(12)8-11)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,21,22)
InChIKeyKWMYDOQJUIEMML-UHFFFAOYSA-N
XLogP3.45
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid 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

4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
[(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate
CID 59032849
N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide
CID 19837990
4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid
CID 5270553
7-(dimethylamino)-2-phenyl-2,3-dihydrochromen-4-one
CID 13393781
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one
CID 68519073
7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one
CID 69016863
[3,4,5-triacetyloxy-6-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]oxan-2-yl]methyl acetate
CID 3757632
6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one
CID 163678312
7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
2-(4-fluoro-3-methylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672406

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid?
The IUPAC name of 2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid (CID 159150938) is 2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid is O=C1CC(c2ccccc2)Oc2cc(OC(F)(F)C(=O)O)ccc21.
What is the InChIKey of 2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid?
The InChIKey is KWMYDOQJUIEMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2O5/c18-17(19,16(21)22)24-11-6-7-12-13(20)9-14(23-15(12)8-11)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,21,22).
What are the key properties of 2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid?
2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid has a molecular weight of 334.27 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid is sourced from PubChem (CID 159150938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).