2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid

C12H14F2O3 — CID 116838235

IUPAC2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
SMILESCOc1cc(C)c(CC(F)(F)C(=O)O)cc1C
InChIInChI=1S/C12H14F2O3/c1-7-5-10(17-3)8(2)4-9(7)6-12(13,14)11(15)16/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyCBWAGKGQBZTUHV-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.57
Rot. Bonds4

About 2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid

2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid (PubChem CID 116838235) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
PubChem CID116838235
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
SMILESCOc1cc(C)c(CC(F)(F)C(=O)O)cc1C
InChIInChI=1S/C12H14F2O3/c1-7-5-10(17-3)8(2)4-9(7)6-12(13,14)11(15)16/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyCBWAGKGQBZTUHV-UHFFFAOYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic 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

3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid
CID 82291639
3,3-difluoro-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid
CID 116839856
2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide
CID 115190244
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
3-(5-tert-butyl-2-methylphenyl)-2,2-difluoropropanoic acid
CID 116838224
4,4,4-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one
CID 113370093
5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
CID 93185741
4,4,4-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)butane-1,3-dione
CID 98579550
2-hydroxy-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpropanamide
CID 115178746
3-[(4-methoxy-2,5-dimethylphenyl)methylamino]propanoic acid
CID 98784083
5-(4-methoxy-2,5-dimethylphenyl)-2-methylpentan-2-ol
CID 94686940
1-(2,4-dimethoxy-5-methylphenyl)propan-2-one
CID 24721213

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid?
The IUPAC name of 2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid (CID 116838235) is 2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid?
The canonical SMILES for 2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid is COc1cc(C)c(CC(F)(F)C(=O)O)cc1C.
What is the InChIKey of 2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid?
The InChIKey is CBWAGKGQBZTUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-7-5-10(17-3)8(2)4-9(7)6-12(13,14)11(15)16/h4-5H,6H2,1-3H3,(H,15,16).
What are the key properties of 2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid?
2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid has a molecular weight of 244.24 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid is sourced from PubChem (CID 116838235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).